data_4asv_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 4asv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.056 0.455 . . . . 1.65 111.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -74.34 166.31 23.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 1.73 109.46 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -55.11 -53.73 52.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 2.61 111.049 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.44 -36.03 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.458 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.11 -41.07 82.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 1.54 110.603 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.88 -52.07 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.796 -0.638 . . . . 1.12 110.195 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.81 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 0.99 110.742 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -54.19 46.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 1.08 111.068 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 ' CG ' ' A' ' 74' ' ' PHE . 89.4 mt -63.84 -37.15 86.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.478 -0.328 . . . . 1.17 110.98 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.3 -52.38 59.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 1.05 111.006 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.9 -30.08 42.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.974 -0.29 . . . . 0.24 110.938 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.54 -43.36 90.19 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 1.59 109.895 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE2' HD12 ' A' ' 33' ' ' ILE . 43.4 t80 -61.85 -46.24 90.32 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.117 -0.492 . . . . 2.15 110.552 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.36 -38.3 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 2.13 110.376 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.5 m -63.68 -39.87 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 1.79 110.554 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 m -64.54 -37.42 87.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 1.45 111.054 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.524 HD12 ' CE2' ' A' ' 29' ' ' TYR . 63.9 mt -60.68 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.242 -0.436 . . . . 1.08 111.113 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.9 -23.31 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.47 110.799 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.58 -46.51 88.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.374 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 32' ' ' SER . 20.8 ptmt -90.09 10.64 23.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 2.64 110.832 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? 39.91 51.21 2.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.459 1.104 . . . . 3.07 112.304 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -90.21 -29.35 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.387 0.613 . . . . 2.12 109.812 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.3 tt -85.89 160.9 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.173 -0.921 . . . . 1.11 110.093 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 t -76.64 158.77 30.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.248 -0.278 . . . . 2.23 110.248 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.63 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.721 0.296 . . . . 2.19 111.22 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 2.3 110.839 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.38 84.01 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.42 112.748 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.25 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 1.15 110.572 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -65.76 -38.15 88.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 1.84 110.683 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.7 m -58.35 -43.51 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 1.26 110.352 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.63 -27.8 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 1.13 111.315 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -68.56 -57.12 6.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.757 -0.201 . . . . 0.53 110.778 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.48 -34.81 71.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.36 110.488 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.81 92.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.373 -0.376 . . . . 1.13 110.346 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.428 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 9.0 ttm -67.49 -38.11 83.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 1.17 110.862 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -59.92 -40.53 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.254 0.55 . . . . 1.99 109.741 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.27 -0.877 . . . . 1.54 111.055 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.22 -47.22 87.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.499 . . . . 1.12 109.859 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 20.0 m -62.32 -43.15 99.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.481 -0.781 . . . . 1.05 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.71 -39.16 90.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 2.66 111.014 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.14 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 1.06 111.825 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 62.7 m-85 -84.05 -13.53 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.032 0.382 . . . . 2.18 112.032 -175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.79 52.31 5.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.992 -0.623 . . . . 0.43 112.89 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.627 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 4.7 p90 -150.38 166.7 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.585 -0.524 . . . . 2.14 109.585 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -100.2 157.62 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.54 -0.3 . . . . 2.33 110.341 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -57.84 -57.11 14.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.266 -0.174 . . . . 4.25 111.366 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.72 -15.65 42.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.888 0.375 . . . . 3.2 111.403 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.79 -18.08 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.631 -0.259 . . . . 1.28 111.122 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.86 -33.79 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.86 0.362 . . . . 0.54 110.568 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -64.85 -29.99 70.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.232 0.539 . . . . 2.08 110.723 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.2 -42.86 7.31 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.82 111.79 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.77 -47.58 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 1.16 110.715 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.1 mt -77.32 3.7 12.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.23 110.988 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.97 -29.66 7.53 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.881 -0.888 . . . . 1.25 110.881 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -85.35 -43.6 13.54 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.923 0.392 . . . . 3.53 110.26 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -79.43 150.59 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 2.16 109.665 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.46 51.85 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.912 0.863 . . . . 2.64 112.006 -175.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CG ' HD12 ' A' ' 25' ' ' LEU . 73.5 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 114.753 -1.112 . . . . 2.4 108.284 167.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m80 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 108.442 -0.947 . . . . 2.43 108.442 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' O ' HD11 ' A' ' 83' ' ' LEU . 56.5 tp -55.78 -49.42 73.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.759 0.314 . . . . 1.15 111.14 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.54 72.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.964 0.357 . . . . 1.23 111.964 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 2.3 109.911 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.85 -43.5 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.159 -0.928 . . . . 1.23 110.718 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 79' ' ' LEU . 9.3 mp -68.28 -30.82 69.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 1.14 110.768 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -63.78 -34.93 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 2.26 111.015 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -7.57 55.73 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.968 0.359 . . . . 2.01 111.968 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.72 0.295 . . . . 1.71 110.554 178.004 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.126 0.489 . . . . 1.65 111.36 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -74.35 166.16 23.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 1.73 109.48 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -54.94 -53.81 50.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 2.61 111.053 -173.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.42 -35.98 77.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.447 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.11 -41.15 82.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.0 0.429 . . . . 1.54 110.596 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.88 -51.95 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.635 . . . . 1.12 110.252 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.83 67.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 1.08 111.076 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.83 -37.23 86.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.486 -0.324 . . . . 1.17 111.081 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.18 -52.39 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 1.05 111.007 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.96 -29.99 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 121.01 -0.276 . . . . 0.23 110.945 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.54 -43.64 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.705 -0.48 . . . . 1.58 109.705 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.522 ' CE2' HD12 ' B' ' 33' ' ' ILE . 43.3 t80 -61.69 -46.3 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 2.15 110.534 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.24 -38.47 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.8 0.334 . . . . 2.14 110.357 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.2 m -63.43 -40.24 96.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 1.79 110.414 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 24.7 m -64.37 -37.41 87.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.538 -0.301 . . . . 1.45 110.981 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.522 HD12 ' CE2' ' B' ' 29' ' ' TYR . 63.9 mt -60.75 -48.82 87.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.3 -0.409 . . . . 1.08 111.102 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.71 -23.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.47 110.854 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.4 -46.46 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.474 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' ' 32' ' ' SER . 20.7 ptmt -90.0 10.56 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 2.64 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 39.98 51.23 2.54 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.678 -1.146 . . . . 3.07 112.297 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -90.29 -29.15 18.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.381 0.61 . . . . 2.11 109.806 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.482 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.3 tt -86.23 160.95 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.156 -0.929 . . . . 1.11 110.095 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.9 t -76.65 158.73 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.105 -0.331 . . . . 2.24 110.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.71 -44.97 70.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.688 0.28 . . . . 2.19 111.128 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.67 -52.23 64.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 2.29 110.8 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.4 84.06 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.42 112.681 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.11 97.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.766 0.317 . . . . 1.15 110.618 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -65.88 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 1.84 110.627 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 11.9 m -58.5 -43.47 89.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 1.26 110.243 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.7 -27.77 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.13 111.372 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -68.44 -57.29 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.646 -0.252 . . . . 0.53 110.74 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.46 -34.78 71.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.89 0.376 . . . . 0.36 110.51 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.71 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 1.13 110.244 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 9.1 ttm -67.63 -38.2 83.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.17 110.776 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.03 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 1.99 109.755 174.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.9 m -69.95 -42.76 72.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.266 -0.879 . . . . 1.54 111.071 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -58.2 -47.23 87.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.243 0.544 . . . . 1.12 109.933 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.517 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -62.31 -43.03 99.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.811 . . . . 1.05 110.989 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.9 -39.08 90.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 2.66 110.934 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.32 -51.17 55.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 1.06 111.814 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 62.6 m-85 -84.08 -13.56 52.73 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 2.17 112.022 -175.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 52.09 5.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.912 -0.661 . . . . 0.43 112.891 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.63 ' HD2' ' CD1' ' B' ' 60' ' ' PHE . 4.7 p90 -150.29 166.6 29.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.691 -0.485 . . . . 2.14 109.691 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -100.18 157.81 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.244 -0.28 . . . . 2.33 110.244 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -57.87 -57.18 13.89 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 121.327 -0.149 . . . . 4.25 111.351 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.63 -15.49 40.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.929 0.395 . . . . 3.19 111.503 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.0 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.575 -0.284 . . . . 1.28 111.157 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.87 -33.99 51.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 0.53 110.58 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -64.59 -30.32 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.006 -0.543 . . . . 2.07 110.695 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.0 -42.74 7.46 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.115 -0.564 . . . . 0.81 111.846 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.81 -47.39 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 1.15 110.633 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -77.24 3.37 13.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 1.23 110.958 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -29.66 7.56 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.803 -0.919 . . . . 1.24 110.803 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -85.32 -43.65 13.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 3.53 110.282 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -79.52 150.66 31.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.93 -0.577 . . . . 2.17 109.608 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.63 51.95 1.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.886 0.85 . . . . 2.64 111.972 -175.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 114.678 -1.146 . . . . 2.4 108.266 167.115 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.423 -0.954 . . . . 2.43 108.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.494 ' O ' HD11 ' B' ' 83' ' ' LEU . 56.6 tp -55.75 -49.48 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 1.15 111.084 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.934 0.346 . . . . 1.23 111.934 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.41 -35.77 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.361 0.601 . . . . 2.3 109.869 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.59 -43.56 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.274 -0.876 . . . . 1.22 110.616 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.494 HD11 ' O ' ' B' ' 79' ' ' LEU . 9.4 mp -68.27 -30.88 70.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 1.14 110.759 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.68 -34.96 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 2.26 110.99 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 p -77.96 -4.86 49.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.912 0.338 . . . . 2.01 111.912 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 1.7 110.37 177.398 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.064 0.459 . . . . 1.65 111.802 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 p -80.21 173.77 12.27 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.735 -0.666 . . . . 1.73 110.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.05 -48.64 70.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.396 -0.366 . . . . 2.61 111.629 -175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.39 -34.63 76.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.582 -0.281 . . . . 1.57 111.333 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 51.5 mt-10 -67.51 -44.27 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 1.54 110.768 -178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.4 mt -65.06 -50.26 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 1.12 110.497 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.76 73.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.99 110.867 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.6 89.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.651 -0.704 . . . . 1.08 111.174 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.96 -33.46 61.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 1.17 110.852 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.86 -50.91 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.997 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 33.0 m -67.46 -30.18 48.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.844 0.354 . . . . 0.24 110.359 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.33 -42.44 96.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 1.59 109.554 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.634 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 37.1 t80 -62.65 -51.85 65.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.006 -0.543 . . . . 2.15 110.877 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 18.4 m-85 -61.87 -41.66 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.59 -0.277 . . . . 2.13 111.652 -177.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 p -67.94 -31.85 71.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 1.79 110.694 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -66.37 -41.4 89.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 1.45 110.025 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.5 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 61.8 mt -56.68 -50.89 72.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.95 -0.568 . . . . 1.08 111.058 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.5 m -73.11 -27.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.469 -0.332 . . . . 0.47 111.277 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.83 -44.39 93.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.136 0.494 . . . . 2.22 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -94.83 4.75 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 2.64 110.881 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt 52.87 55.93 8.3 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 114.991 -1.004 . . . . 3.07 110.886 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -88.66 -8.65 54.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.254 1.025 . . . . 2.12 108.363 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.1 tt -122.99 153.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.739 -1.119 . . . . 1.11 110.555 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 m -67.82 141.98 56.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 2.23 109.881 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.46 -25.04 59.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.398 -0.819 . . . . 2.19 112.429 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.77 -38.61 73.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.006 0.431 . . . . 2.3 110.199 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.97 -27.74 57.82 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.444 -0.662 . . . . 0.42 111.444 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.44 98.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.981 0.419 . . . . 1.15 110.438 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.99 -40.37 93.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.525 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.901 -0.59 . . . . 1.26 110.499 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.86 -23.98 62.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.504 -0.316 . . . . 1.13 111.09 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.18 -52.72 31.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.597 0.237 . . . . 0.53 110.733 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.32 -36.03 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.964 0.411 . . . . 0.36 110.242 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.17 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.13 110.637 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 21.6 tpp -54.42 -50.0 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 1.17 111.037 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.953 -0.567 . . . . 1.99 110.462 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.4 m -63.47 -45.93 88.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.179 -0.464 . . . . 1.54 111.05 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HD2' ' A' ' 58' ' ' PHE . 65.4 mt -60.72 -50.12 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.164 0.507 . . . . 1.12 110.06 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 20.3 m -60.74 -48.14 83.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.489 -0.778 . . . . 1.05 110.933 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.39 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 2.66 111.143 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' B' ' 39' ' ' ILE . . . -61.9 -34.35 75.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.659 . . . . 1.06 111.715 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 65.9 m-85 -100.79 -2.24 32.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.812 0.339 . . . . 2.18 111.616 -177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.71 41.76 8.71 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.837 -0.696 . . . . 0.43 113.454 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 55' ' ' SER . 45.1 p90 -145.34 161.52 39.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.901 0.35 . . . . 2.14 110.108 174.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -101.2 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.019 -0.363 . . . . 2.33 110.019 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.11 -47.27 68.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.649 0.261 . . . . 4.25 111.572 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.07 -13.41 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.729 0.27 . . . . 3.2 111.729 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.61 -17.41 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.708 -0.224 . . . . 1.28 111.581 -176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.71 -29.41 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.042 0.448 . . . . 0.54 110.297 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 m -62.15 -39.29 92.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.799 -0.637 . . . . 2.08 110.288 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.91 -39.86 53.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.85 -0.69 . . . . 0.82 111.91 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -59.19 -53.85 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.237 -0.282 . . . . 1.16 110.237 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.8 -3.11 17.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 1.23 111.443 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.57 -34.01 29.56 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.687 -0.768 . . . . 1.25 111.229 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.32 -39.42 10.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 3.53 110.219 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.503 ' OG ' ' HG2' ' A' ' 21' ' ' GLU . 31.0 m -61.3 141.89 57.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 2.16 110.022 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 0.55 52.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.071 -0.513 . . . . 2.64 111.36 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 2.4 110.211 178.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 108.975 -0.75 . . . . 2.43 108.975 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 58.8 tp -52.61 -49.81 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.55 0.574 . . . . 1.15 112.55 -171.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.24 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.122 0.415 . . . . 1.23 112.122 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.13 -36.37 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.236 -0.653 . . . . 2.3 109.236 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 77.1 mt -61.11 -49.58 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.104 -0.953 . . . . 1.23 110.203 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.72 -32.33 73.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 1.14 110.821 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.26 -21.64 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 2.26 110.601 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 m -82.05 -10.41 59.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 2.01 110.745 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 1.71 110.388 178.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.144 0.497 . . . . 1.65 111.725 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 p -80.33 173.97 12.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.567 -0.742 . . . . 1.73 110.414 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.31 -48.66 71.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.347 -0.388 . . . . 2.61 111.494 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -34.5 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.627 -0.261 . . . . 1.58 111.399 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.504 ' HG2' ' OG ' ' B' ' 72' ' ' SER . 51.5 mt-10 -67.56 -44.11 79.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.968 0.413 . . . . 1.54 110.874 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.17 -50.38 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 1.12 110.437 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.897 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.66 90.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 1.08 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -33.59 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.38 -0.373 . . . . 1.17 110.918 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.79 -50.88 75.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 1.05 111.026 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.426 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 33.0 m -67.47 -30.3 48.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.23 110.281 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.22 -42.36 96.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 1.58 109.664 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.628 ' HE1' ' CE2' ' B' ' 29' ' ' TYR . 37.2 t80 -62.68 -51.84 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 2.15 110.914 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.631 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 18.4 m-85 -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.458 -0.337 . . . . 2.14 111.648 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.3 p -67.81 -31.98 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 1.79 110.733 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.5 t -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 1.45 109.984 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.509 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 61.9 mt -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.97 -0.559 . . . . 1.08 111.08 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.21 -27.36 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.32 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.02 -44.14 93.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 2.22 110.82 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -94.82 4.45 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.158 0.504 . . . . 2.64 110.927 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 53.02 55.89 8.3 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.96 -1.018 . . . . 3.07 110.868 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.56 -8.6 54.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.257 1.027 . . . . 2.11 108.338 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.509 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.1 tt -122.94 153.15 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.711 -1.131 . . . . 1.11 110.528 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 42.8 m -67.59 142.0 56.61 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.139 -0.482 . . . . 2.24 109.88 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.73 -24.94 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.364 -0.835 . . . . 2.19 112.518 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.82 -38.9 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 2.29 110.034 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.61 -27.62 58.78 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.47 -0.652 . . . . 0.42 111.47 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.4 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 1.15 110.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.02 -40.51 93.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.577 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -61.7 -38.52 88.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 1.26 110.472 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.93 -23.84 62.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 1.13 111.245 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.06 -53.01 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.673 0.273 . . . . 0.53 110.67 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.36 110.226 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.02 79.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.13 110.649 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.426 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 21.9 tpp -54.55 -50.17 68.56 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.958 -0.564 . . . . 1.17 110.992 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -67.75 -36.24 80.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.589 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.1 m -63.64 -45.89 88.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 1.54 111.072 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.405 ' O ' ' HD2' ' B' ' 58' ' ' PHE . 64.8 mt -60.76 -50.18 81.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 1.12 110.034 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.441 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 20.4 m -60.65 -48.08 83.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.378 -0.828 . . . . 1.05 110.907 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.5 -37.48 81.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 2.66 111.119 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 39' ' ' ILE . . . -61.9 -34.4 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.71 -0.677 . . . . 1.06 111.769 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 66.2 m-85 -100.62 -2.29 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 2.17 111.56 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.73 42.14 8.47 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.74 -0.743 . . . . 0.43 113.475 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' B' ' 55' ' ' SER . 45.1 p90 -145.76 161.6 39.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.923 0.362 . . . . 2.14 110.076 174.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.25 169.16 9.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.048 -0.353 . . . . 2.33 110.048 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -53.21 -47.05 69.24 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.681 0.277 . . . . 4.25 111.577 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.26 -13.31 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.756 0.312 . . . . 3.19 111.721 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.78 -17.29 51.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.607 -0.27 . . . . 1.28 111.628 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.77 -29.38 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.002 0.43 . . . . 0.53 110.319 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.6 m -62.29 -39.01 91.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.869 -0.605 . . . . 2.07 110.375 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.1 -39.9 52.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.936 -0.65 . . . . 0.81 111.744 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.29 -53.61 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.28 -0.267 . . . . 1.15 110.28 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.85 -3.24 18.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 1.23 111.526 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.32 -34.26 29.71 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.16 -0.776 . . . . 1.24 111.16 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.06 -39.51 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.221 -0.289 . . . . 3.53 110.221 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.504 ' OG ' ' HG2' ' B' ' 21' ' ' GLU . 31.0 m -61.35 142.12 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.466 . . . . 2.17 110.036 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.81 0.65 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 2.64 111.28 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.519 0.676 . . . . 2.4 110.242 178.738 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.922 -0.77 . . . . 2.43 108.922 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 58.9 tp -52.64 -49.85 64.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.495 0.554 . . . . 1.15 112.495 -171.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -27.34 65.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.07 0.396 . . . . 1.23 112.07 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.436 0.636 . . . . 2.3 109.306 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 77.0 mt -61.04 -49.67 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 1.22 110.23 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.64 -32.39 74.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 1.14 110.877 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.14 -21.68 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 2.26 110.62 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.9 m -82.29 -10.04 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 2.01 110.851 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.39 178.768 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 N-CA-C 109.311 -0.626 . . . . 1.65 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -72.54 157.43 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.59 -0.732 . . . . 1.73 110.365 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.2 -48.77 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 2.61 111.568 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.04 -38.13 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 1.57 111.457 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.37 -39.16 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.249 0.547 . . . . 1.54 110.376 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.22 -51.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.481 -0.781 . . . . 1.12 110.389 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -33.74 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.99 111.113 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.14 86.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 1.08 111.114 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 79' ' ' LEU . 36.6 mt -73.5 -34.46 65.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.668 0.271 . . . . 1.17 111.128 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.56 -50.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.284 -0.416 . . . . 1.05 110.655 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.28 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.24 110.41 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.3 -49.52 77.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.039 -0.528 . . . . 1.59 110.649 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -62.37 -46.59 87.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 2.15 110.888 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.81 -42.75 99.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.618 0.247 . . . . 2.13 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -64.47 -34.47 78.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.064 0.459 . . . . 1.79 109.958 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -65.48 -40.15 92.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.758 -0.655 . . . . 1.45 110.691 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 53.1 mt -59.35 -49.17 84.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.862 0.363 . . . . 1.08 110.86 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.93 -26.49 19.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.47 110.9 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.31 -46.84 78.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 2.22 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 14.5 ptmm? -87.97 5.56 40.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.217 0.532 . . . . 2.64 110.811 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.17 52.95 10.79 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.938 -1.028 . . . . 3.07 110.804 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 42.5 tt0 -98.57 -13.44 20.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 2.12 110.349 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.2 tt -112.52 151.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 1.11 110.608 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 m -68.79 153.57 43.55 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.009 -0.542 . . . . 2.23 110.485 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.98 -50.5 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.232 0.456 . . . . 2.19 112.232 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.18 -36.73 78.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.378 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -35.97 72.23 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.815 -0.707 . . . . 0.42 111.783 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.75 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 1.15 110.734 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -64.11 -31.85 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.617 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -67.15 -40.62 86.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.63 . . . . 1.26 109.841 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.33 -30.19 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 1.13 111.045 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.18 -58.66 7.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.53 110.995 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.31 -37.34 77.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.04 0.447 . . . . 0.36 110.436 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -36.99 85.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 1.13 111.249 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.407 ' HA ' HD13 ' A' ' 54' ' ' ILE . 27.8 ttm -71.33 -38.42 71.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.352 -0.385 . . . . 1.17 111.902 -173.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.45 -29.1 68.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.393 -0.523 . . . . 1.99 109.62 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.7 -41.28 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.595 . . . . 1.54 110.296 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 51' ' ' MET . 58.9 mt -57.62 -49.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.37 0.605 . . . . 1.12 109.491 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.585 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.9 m -59.17 -45.14 91.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 1.05 110.713 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.4 -40.87 98.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.205 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.59 74.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 1.06 112.129 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -103.3 -8.18 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 2.18 111.684 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.97 38.38 19.52 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.037 -0.601 . . . . 0.43 113.462 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.668 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 10.8 p90 -136.82 177.11 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.808 -0.441 . . . . 2.14 109.808 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.53 154.46 33.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.836 0.35 . . . . 2.33 110.293 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -61.2 -17.82 55.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.847 -0.615 . . . . 4.25 112.123 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.15 -4.15 58.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.751 0.31 . . . . 3.2 110.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.91 0.27 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.323 . . . . 1.28 111.501 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.42 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.54 111.534 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -66.5 -36.13 81.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 2.08 110.836 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.4 -37.6 92.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.972 -0.633 . . . . 0.82 112.034 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.42 -48.51 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 1.16 110.596 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.66 -37.96 89.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 1.23 111.231 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.22 74.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.924 -0.655 . . . . 1.25 112.849 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.95 -33.39 19.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 3.53 110.836 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 p -82.61 175.35 10.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 2.16 111.127 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -84.95 26.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.117 0.484 . . . . 2.64 110.377 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.459 0.647 . . . . 2.4 109.58 179.464 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.158 -1.053 . . . . 2.43 108.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 25' ' ' LEU . 63.7 tp -43.43 -50.47 6.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.033 0.753 . . . . 1.15 113.033 -172.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.61 71.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.36 0.504 . . . . 1.23 112.36 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.77 -40.96 98.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.37 0.605 . . . . 2.3 109.523 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.6 mt -62.85 -41.57 93.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.798 -1.092 . . . . 1.23 110.844 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 1.14 110.801 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -68.96 -29.77 68.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.517 -0.31 . . . . 2.26 110.83 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -76.69 -7.87 56.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.853 0.316 . . . . 2.01 111.853 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.687 0.279 . . . . 1.71 110.303 176.516 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.334 -0.617 . . . . 1.65 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -72.5 157.29 37.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.548 -0.751 . . . . 1.73 110.519 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.07 -48.92 64.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.26 0.35 . . . . 2.61 111.556 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.99 -38.04 78.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 1.58 111.539 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.36 -39.2 81.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.267 0.556 . . . . 1.54 110.381 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.32 -50.96 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.426 -0.806 . . . . 1.12 110.325 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.94 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.046 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.41 85.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 1.08 111.155 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' B' ' 79' ' ' LEU . 37.3 mt -73.1 -34.57 66.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 1.17 111.268 178.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.44 -50.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 1.05 110.611 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.29 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.23 110.389 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.32 -49.54 77.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.039 -0.528 . . . . 1.58 110.57 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 2.15 110.839 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.75 -42.72 99.34 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.152 -0.219 . . . . 2.14 110.916 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -64.51 -34.59 78.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.233 0.539 . . . . 1.79 109.938 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.6 t -65.29 -40.2 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.721 -0.672 . . . . 1.45 110.72 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 53.0 mt -59.3 -49.13 84.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.863 0.363 . . . . 1.08 110.899 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.92 -26.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.249 -0.432 . . . . 0.47 110.924 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.15 -47.06 78.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 2.22 110.434 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HB2' ' B' ' 38' ' ' GLU . 14.5 ptmm? -87.81 5.64 39.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.154 0.502 . . . . 2.64 110.833 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.13 53.02 10.74 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.954 -1.021 . . . . 3.07 110.814 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' B' ' 36' ' ' LYS . 42.7 tt0 -98.69 -13.47 20.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.665 . . . . 2.11 110.388 -175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -112.47 151.83 14.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.722 -0.672 . . . . 1.11 110.497 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -68.87 153.52 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.001 -0.545 . . . . 2.24 110.517 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -49.98 -50.58 46.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.182 0.438 . . . . 2.19 112.182 -173.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.1 -36.55 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 2.29 111.41 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.3 -36.12 70.16 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.761 -0.733 . . . . 0.42 111.768 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.55 79.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 1.15 110.704 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -64.37 -31.67 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.679 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -67.3 -40.62 86.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.64 . . . . 1.26 109.777 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.3 -30.12 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 1.13 111.03 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -60.25 -58.5 8.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.432 -0.349 . . . . 0.53 110.982 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.56 -37.29 77.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 121.006 0.432 . . . . 0.36 110.417 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.01 86.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.988 -0.551 . . . . 1.13 111.355 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.416 ' HA ' HD13 ' B' ' 54' ' ' ILE . 27.8 ttm -71.4 -38.32 71.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 1.17 111.941 -173.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -67.23 -29.4 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.0 m -69.65 -41.37 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.54 110.194 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' B' ' 51' ' ' MET . 58.5 mt -57.55 -49.07 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.479 0.656 . . . . 1.12 109.524 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 16.7 m -59.2 -45.15 91.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.064 -0.971 . . . . 1.05 110.663 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.32 -40.96 98.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 2.66 111.173 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.62 74.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 1.06 112.072 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.34 -8.17 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.766 0.317 . . . . 2.17 111.693 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 38.15 19.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.029 -0.605 . . . . 0.43 113.475 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' B' ' 60' ' ' PHE . 10.8 p90 -136.59 177.03 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.79 -0.448 . . . . 2.14 109.79 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.59 154.41 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.469 -0.332 . . . . 2.33 110.244 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -61.77 -16.93 53.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.895 -0.593 . . . . 4.25 112.103 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.68 -4.04 58.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.846 0.355 . . . . 3.19 110.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.97 0.46 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 1.28 111.427 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.47 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.53 111.477 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -66.48 -36.15 82.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 2.07 110.834 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.79 93.13 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.927 -0.654 . . . . 0.81 111.909 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.5 mt -71.23 -48.46 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.783 0.325 . . . . 1.15 110.572 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.69 -37.85 88.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.23 111.149 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.6 -29.52 75.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.96 -0.638 . . . . 1.24 112.755 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.56 -33.55 20.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.0 0.428 . . . . 3.53 110.898 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -82.63 175.05 10.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.079 -0.51 . . . . 2.17 111.183 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.7 26.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 2.64 110.372 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.344 0.592 . . . . 2.4 109.573 179.469 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.183 -1.043 . . . . 2.43 108.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' B' ' 25' ' ' LEU . 63.7 tp -43.6 -50.36 7.36 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.038 0.755 . . . . 1.15 113.038 -172.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.66 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.331 0.493 . . . . 1.23 112.331 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.67 -41.15 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.423 0.63 . . . . 2.3 109.53 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.72 -41.37 92.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.794 -1.094 . . . . 1.22 111.022 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.53 -31.58 67.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.974 -0.557 . . . . 1.14 110.795 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -68.84 -29.74 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.565 -0.289 . . . . 2.26 110.699 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -77.69 -5.8 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.755 0.28 . . . . 2.01 111.755 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 110.108 -0.33 . . . . 1.7 110.108 176.259 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.114 0.483 . . . . 1.65 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -80.16 163.24 24.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.007 -0.542 . . . . 1.73 109.851 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' B' ' 38' ' ' GLU . 64.8 mttp -52.64 -54.8 28.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.237 0.336 . . . . 2.61 111.805 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.94 -34.78 76.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 1.57 111.691 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.7 -43.43 76.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 1.54 110.47 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -67.18 -46.77 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.409 -0.814 . . . . 1.12 110.441 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 0.99 110.827 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.23 85.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 1.08 110.928 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 -35.9 63.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.233 -0.44 . . . . 1.17 110.713 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -63.87 -48.68 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.822 -0.627 . . . . 1.05 110.924 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.3 -32.73 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 121.014 -0.275 . . . . 0.24 110.639 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -62.08 -43.12 99.52 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.945 0.402 . . . . 1.59 110.098 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.656 ' HE2' ' CE1' ' A' ' 29' ' ' TYR . 48.6 t80 -58.55 -53.75 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.816 -0.629 . . . . 2.15 110.874 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 22.7 m-85 -61.24 -42.74 99.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.373 -0.376 . . . . 2.13 110.741 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -60.84 -39.71 90.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.469 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 10.2 t -73.85 -21.76 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.62 -0.264 . . . . 1.45 110.938 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.492 HD12 ' CE2' ' A' ' 29' ' ' TYR . 60.4 mt -67.97 -52.56 37.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.926 0.394 . . . . 1.08 110.043 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.2 m -72.14 -25.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.47 110.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.63 -50.91 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 2.22 111.066 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.3 pttm -104.76 25.64 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 2.64 111.457 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.87 62.01 1.34 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.822 -1.081 . . . . 3.07 112.804 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.473 ' O ' ' HE2' ' B' ' 19' ' ' LYS . 22.1 mm-40 -97.28 -2.78 41.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.603 -0.726 . . . . 2.12 110.05 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 tt -131.84 155.08 41.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.313 -0.858 . . . . 1.11 109.539 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -81.23 169.06 17.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.679 0.276 . . . . 2.23 110.89 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 1.5 mp0 -51.39 -57.29 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.516 0.726 . . . . 2.19 112.17 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.72 -35.02 78.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 2.3 111.251 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -64.68 -41.18 97.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.727 -0.749 . . . . 0.42 111.663 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.55 75.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.077 0.465 . . . . 1.15 110.324 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.25 -46.01 83.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.422 -0.808 . . . . 1.84 111.35 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 p -70.54 -35.29 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.928 -0.309 . . . . 1.26 110.538 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 71.9 mt -64.39 -25.54 68.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.645 0.259 . . . . 1.13 110.81 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.91 -50.91 60.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.604 -0.271 . . . . 0.53 111.172 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.02 -34.12 68.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.012 0.434 . . . . 0.36 110.106 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.6 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 1.13 110.541 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.408 ' HE2' ' HB2' ' A' ' 30' ' ' PHE . 14.4 tpp -66.02 -48.42 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.19 0.519 . . . . 1.17 110.402 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.59 -35.35 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.595 -0.729 . . . . 1.99 109.805 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.04 -60.93 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.646 -0.706 . . . . 1.54 111.251 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.71 -44.96 72.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.976 0.417 . . . . 1.12 110.753 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -60.98 -53.32 58.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 1.05 110.926 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.26 -45.24 81.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 2.66 111.575 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 1.06 111.736 -176.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.592 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 42.7 m-85 -84.1 -20.35 32.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.792 0.33 . . . . 2.18 111.37 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 37.55 6.32 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.851 -0.69 . . . . 0.43 113.219 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.21 158.56 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.865 -0.42 . . . . 2.14 109.865 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -91.29 142.96 27.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.05 0.452 . . . . 2.33 110.392 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -63.83 -20.3 65.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.606 -0.725 . . . . 4.25 110.876 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.41 -2.62 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 3.2 110.923 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.24 2.85 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.591 -0.277 . . . . 1.28 111.559 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.5 -39.07 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.309 -0.405 . . . . 0.54 111.783 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 t -66.51 -33.14 75.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.403 . . . . 2.08 110.432 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.92 -46.38 82.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.921 -0.657 . . . . 0.82 111.733 176.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.07 -47.32 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 1.16 110.429 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -67.34 -21.13 65.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.23 111.586 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.19 -29.29 28.4 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.885 -0.674 . . . . 1.25 112.097 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 97.5 mttt -76.74 -47.22 22.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 3.53 110.289 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -75.74 154.0 36.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.982 -0.554 . . . . 2.16 110.619 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -76.03 20.34 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.553 -0.294 . . . . 2.64 111.791 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.623 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 60.6 m-85 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.861 -0.422 . . . . 2.4 109.861 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.1 m80 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.898 0.38 . . . . 2.43 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' HD11 ' A' ' 83' ' ' LEU . 51.9 tp -54.17 -35.93 62.84 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.36 -0.836 . . . . 1.15 111.245 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.64 78.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 1.23 111.287 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.02 -41.93 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.211 -0.663 . . . . 2.3 109.211 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.19 -45.75 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.863 -1.062 . . . . 1.23 111.219 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.512 HD11 ' O ' ' A' ' 79' ' ' LEU . 7.0 mp -68.31 -30.11 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 1.14 111.399 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -71.48 -22.14 61.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 2.26 110.041 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.5 t -82.96 -10.93 58.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 2.01 110.566 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.41 0.624 . . . . 1.71 110.327 179.257 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.261 0.553 . . . . 1.65 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -80.21 163.05 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.877 -0.601 . . . . 1.73 109.9 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 38' ' ' GLU . 64.7 mttp -52.53 -54.73 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.179 0.299 . . . . 2.61 111.783 -175.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.358 . . . . 1.58 111.738 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.9 -43.34 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.201 0.524 . . . . 1.54 110.458 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.0 -46.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.463 -0.79 . . . . 1.12 110.425 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -35.74 72.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.912 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.24 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 1.08 110.889 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.28 -35.79 63.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.892 0.377 . . . . 1.17 110.666 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.08 -48.48 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 1.05 110.878 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.33 -32.81 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 0.23 110.624 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.04 -43.08 99.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.009 0.433 . . . . 1.58 110.085 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.664 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 48.1 t80 -58.72 -53.71 55.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.75 -0.659 . . . . 2.15 110.766 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.405 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 22.6 m-85 -61.23 -42.65 98.98 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.436 -0.347 . . . . 2.14 110.802 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -60.89 -39.72 90.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 1.79 110.47 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 10.7 t -73.81 -21.86 60.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.646 -0.252 . . . . 1.45 110.879 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.494 HD12 ' CE2' ' B' ' 29' ' ' TYR . 60.6 mt -67.94 -52.43 39.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 1.08 110.012 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.09 -25.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.47 110.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.59 -50.86 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.268 -0.878 . . . . 2.22 111.104 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 32' ' ' SER . 18.4 pttm -104.8 25.62 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.221 -0.445 . . . . 2.64 111.486 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.92 62.1 1.33 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.763 -1.108 . . . . 3.07 112.653 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.487 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 21.7 mm-40 -97.28 -2.95 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 2.11 110.067 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.56 155.11 41.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.49 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -81.19 169.06 17.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.661 0.267 . . . . 2.24 111.03 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' B' ' 41' ' ' GLU . 1.6 mp0 -51.45 -57.11 9.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 2.19 112.179 -173.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.75 -35.05 78.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.793 0.33 . . . . 2.29 111.193 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -64.77 -41.0 97.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.42 111.664 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -38.52 75.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.085 0.469 . . . . 1.15 110.365 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.19 -46.17 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.407 -0.815 . . . . 1.84 111.32 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 31.5 p -70.43 -35.27 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.862 -0.335 . . . . 1.26 110.539 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 70.7 mt -64.43 -25.53 68.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.57 0.224 . . . . 1.13 110.779 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.86 -51.08 59.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.53 111.098 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.98 -34.07 68.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.661 -0.416 . . . . 0.36 110.169 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 53' ' ' CYS . . . -68.45 -28.56 67.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 1.13 110.678 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' B' ' 30' ' ' PHE . 14.6 tpp -66.14 -48.33 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 1.17 110.384 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.61 -35.32 80.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 1.99 109.734 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 50' ' ' ALA . 1.6 t -58.09 -60.84 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.704 -0.68 . . . . 1.54 111.239 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.83 -45.01 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-O 120.978 0.418 . . . . 1.12 110.715 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.96 -53.16 60.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.903 -0.59 . . . . 1.05 111.053 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.34 -45.24 80.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 2.66 111.588 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.17 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 1.06 111.644 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 43.2 m-85 -83.73 -20.37 33.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.416 -0.356 . . . . 2.17 111.497 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.92 37.47 6.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.728 -0.748 . . . . 0.43 113.224 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -136.13 158.74 43.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.893 -0.41 . . . . 2.14 109.893 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -91.41 142.82 27.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.044 0.45 . . . . 2.33 110.39 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.78 -20.2 65.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 4.25 110.864 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.27 -3.21 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 3.19 110.856 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.75 2.84 22.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.525 -0.307 . . . . 1.28 111.491 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.55 -38.96 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.53 111.816 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.3 t -66.64 -32.91 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 2.07 110.518 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' B' ' 71' ' ' LYS . . . -65.98 -46.42 81.43 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.969 -0.634 . . . . 0.81 111.816 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.94 -47.41 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.115 0.484 . . . . 1.15 110.365 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.41 -20.95 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.546 -0.752 . . . . 1.23 111.611 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.43 -29.22 27.93 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 1.24 112.08 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 67' ' ' GLY . 97.6 mttt -76.69 -47.35 22.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.912 0.386 . . . . 3.53 110.202 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.406 ' C ' ' H ' ' B' ' 74' ' ' PHE . 16.3 m -75.62 153.96 36.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.984 -0.553 . . . . 2.17 110.648 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -76.07 20.39 0.2 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.746 0.308 . . . . 2.64 111.782 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 1.649 ' HE1' ' CE2' ' B' ' 74' ' ' PHE . 60.6 m-85 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 109.841 -0.429 . . . . 2.4 109.841 175.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 m80 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.892 0.377 . . . . 2.43 110.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.507 ' O ' HD11 ' B' ' 83' ' ' LEU . 51.9 tp -54.1 -36.08 62.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.419 -0.81 . . . . 1.15 111.171 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -35.36 77.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 1.23 111.415 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.14 -42.17 80.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.192 -0.67 . . . . 2.3 109.192 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.11 -45.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.787 -1.097 . . . . 1.22 111.191 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.507 HD11 ' O ' ' B' ' 79' ' ' LEU . 7.0 mp -68.2 -30.06 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 1.14 111.418 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.69 -21.9 61.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.318 0.58 . . . . 2.26 110.002 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 34.9 t -83.25 -10.7 58.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.629 -0.714 . . . . 2.01 110.445 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.424 0.631 . . . . 1.7 110.291 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.974 0.416 . . . . 1.65 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -73.48 159.49 33.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 1.73 110.181 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -54.05 -51.58 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 2.61 111.257 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.62 -38.54 81.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.768 -0.651 . . . . 1.57 111.461 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.61 -46.99 83.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.138 0.494 . . . . 1.54 110.493 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.76 -49.74 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.61 -0.723 . . . . 1.12 110.964 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.21 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 0.99 110.984 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.55 97.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 1.08 110.922 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.505 HD12 ' CG ' ' A' ' 74' ' ' PHE . 87.5 mt -70.11 -35.65 74.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.454 . . . . 1.17 110.698 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.65 -50.93 75.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 1.05 111.029 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.19 -30.76 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.24 110.546 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.0 -42.91 99.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.138 -0.483 . . . . 1.59 110.495 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CE2' HD12 ' A' ' 33' ' ' ILE . 46.0 t80 -62.71 -51.67 66.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 2.15 110.789 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.618 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 17.9 m-85 -60.82 -44.1 97.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.369 . . . . 2.13 111.467 -177.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 51.6 p -65.78 -26.24 67.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.61 0.243 . . . . 1.79 110.844 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -74.3 -31.47 62.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 1.45 110.798 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.477 HD12 ' CE2' ' A' ' 29' ' ' TYR . 29.5 mt -68.9 -45.28 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 1.08 110.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.11 -16.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.839 -0.618 . . . . 0.47 111.219 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.8 tp10 -67.03 -49.74 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 2.22 110.29 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.35 4.84 51.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 2.64 111.238 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 58.1 61.94 2.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.848 -1.069 . . . . 3.07 111.326 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.37 -5.36 20.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 2.12 111.268 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.431 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -107.7 162.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.95 -0.568 . . . . 1.11 110.162 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -67.47 158.67 31.29 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.051 0.219 . . . . 2.23 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.94 -52.27 65.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.757 0.313 . . . . 2.19 111.771 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.58 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.048 0.452 . . . . 2.3 110.566 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -41.05 90.44 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 0.42 111.911 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.42 97.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.439 . . . . 1.15 110.635 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.02 -40.58 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.687 -0.688 . . . . 1.84 110.719 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -64.52 -32.85 74.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.043 -0.526 . . . . 1.26 110.817 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -71.64 -23.8 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.491 -0.322 . . . . 1.13 110.929 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.88 -51.74 30.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.555 -0.293 . . . . 0.53 110.514 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.31 -36.47 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.36 110.406 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.11 74.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.359 -0.382 . . . . 1.13 110.632 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.9 tpp -57.67 -47.37 82.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 1.17 110.662 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.29 -42.86 99.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.869 -0.605 . . . . 1.99 110.429 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.64 -48.94 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 1.54 111.795 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.427 ' O ' ' HD2' ' A' ' 58' ' ' PHE . 45.7 mt -62.47 -50.03 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 1.12 110.743 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 25.9 p -63.73 -46.1 86.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.082 -0.508 . . . . 1.05 111.108 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.03 -32.48 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 2.66 110.915 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.51 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.38 -0.373 . . . . 1.06 111.583 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.648 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 52.2 m-85 -95.06 -14.28 24.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 2.18 111.628 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.86 43.66 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.79 -0.719 . . . . 0.43 113.231 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.596 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 44.1 p90 -148.45 169.73 19.58 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.558 -0.534 . . . . 2.14 109.558 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -114.2 163.79 14.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.395 -0.224 . . . . 2.33 110.395 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.77 -43.81 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.453 0.168 . . . . 4.25 111.4 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.64 -9.6 20.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.064 0.394 . . . . 3.2 112.064 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -6.21 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.651 -0.249 . . . . 1.28 111.402 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -63.84 -36.98 78.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.596 0.236 . . . . 0.54 111.071 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 p -61.9 -42.58 99.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.874 0.368 . . . . 2.08 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -64.26 -48.04 78.69 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.985 -0.626 . . . . 0.82 112.002 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.05 -47.38 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 1.16 110.638 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.88 -34.15 77.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 1.23 111.678 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.58 -29.57 72.89 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 1.25 112.333 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 34.9 mmtp -84.47 -37.53 21.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 3.53 110.759 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 74' ' ' PHE . 96.2 p -61.98 155.45 23.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.16 112.079 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.1 17.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 2.64 110.416 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' CG ' HD12 ' A' ' 25' ' ' LEU . 78.7 m-85 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 2.4 110.072 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.511 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 38.3 m80 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 109.66 -0.496 . . . . 2.43 109.66 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 83' ' ' LEU . 43.6 tp -53.17 -32.31 47.19 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.259 -0.882 . . . . 1.15 111.46 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.86 69.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 1.23 111.342 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.511 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 4.5 m-20 -62.75 -37.71 87.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.263 0.554 . . . . 2.3 109.93 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.56 -52.73 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.362 -0.835 . . . . 1.23 110.773 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 79' ' ' LEU . 7.4 mp -62.54 -36.08 81.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 1.14 111.308 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.67 -38.06 80.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.312 0.577 . . . . 2.26 109.963 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -78.75 -20.41 50.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.618 . . . . 2.01 111.174 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.949 0.404 . . . . 1.71 111.404 -176.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.936 0.398 . . . . 1.65 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -73.63 159.4 33.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.142 -0.481 . . . . 1.73 110.196 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -53.94 -51.58 63.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 2.61 111.218 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.64 -38.59 81.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.58 111.516 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.74 -46.87 83.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.048 0.452 . . . . 1.54 110.466 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.82 -49.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 1.12 110.934 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.14 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.916 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.49 97.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.665 -0.698 . . . . 1.08 110.906 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' B' ' 74' ' ' PHE . 87.5 mt -70.18 -35.54 74.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.007 0.432 . . . . 1.17 110.773 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.7 -50.99 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 1.05 111.02 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.02 -30.99 50.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.23 110.554 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.96 -42.8 99.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.111 -0.495 . . . . 1.58 110.474 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' B' ' 33' ' ' ILE . 46.0 t80 -62.86 -51.7 65.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.225 -0.443 . . . . 2.15 110.703 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.61 ' HD1' ' CD2' ' B' ' 30' ' ' PHE . 17.9 m-85 -60.67 -44.19 96.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.468 -0.333 . . . . 2.14 111.54 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 47.8 p -65.79 -26.1 67.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.77 0.319 . . . . 1.79 110.896 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -74.47 -31.49 62.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.795 0.331 . . . . 1.45 110.861 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.474 HD12 ' CE2' ' B' ' 29' ' ' TYR . 29.3 mt -68.83 -45.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.095 0.474 . . . . 1.08 110.373 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.05 -16.13 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.47 111.239 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 31' ' ' SER . 9.6 tp10 -66.98 -49.69 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 2.22 110.266 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.51 5.24 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.271 0.558 . . . . 2.64 111.275 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 57.83 62.15 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 114.832 -1.076 . . . . 3.07 111.288 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.53 -5.48 20.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 2.11 111.312 -176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.433 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.1 tt -107.32 162.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.901 -0.59 . . . . 1.11 110.131 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 14.3 m -67.45 158.44 31.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.722 -0.217 . . . . 2.24 110.938 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.91 -52.3 65.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 2.19 111.758 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.54 -32.81 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 2.29 110.55 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.74 -40.94 89.83 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.796 -0.716 . . . . 0.42 111.877 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.015 0.436 . . . . 1.15 110.59 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.85 -40.79 96.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 1.84 110.826 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -64.64 -32.43 74.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.929 -0.578 . . . . 1.26 110.915 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.86 -23.68 61.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.295 . . . . 1.13 110.954 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.84 -51.87 29.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.54 -0.3 . . . . 0.53 110.538 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.24 -36.48 77.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.36 110.403 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.57 -33.21 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.445 -0.343 . . . . 1.13 110.634 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 17.2 tpp -57.71 -47.35 82.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 1.17 110.618 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.1 -43.06 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.99 110.405 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.52 -48.98 77.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 1.54 111.85 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.429 ' O ' ' HD2' ' B' ' 58' ' ' PHE . 46.3 mt -62.56 -50.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 1.12 110.636 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.557 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 25.3 p -63.68 -46.08 87.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.149 -0.478 . . . . 1.05 111.137 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.98 -32.61 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 2.66 111.017 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.56 89.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 1.06 111.601 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 52.7 m-85 -95.08 -14.16 24.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.469 -0.332 . . . . 2.17 111.601 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 43.19 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.65 -0.786 . . . . 0.43 113.377 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.611 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 44.0 p90 -147.97 169.7 19.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.609 -0.515 . . . . 2.14 109.609 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.11 163.83 14.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.426 -0.212 . . . . 2.33 110.426 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -56.82 -44.01 81.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.47 0.176 . . . . 4.25 111.366 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.4 -9.78 20.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.986 0.365 . . . . 3.19 111.986 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.7 -6.25 40.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.736 -0.211 . . . . 1.28 111.444 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.89 -37.1 78.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.684 0.278 . . . . 0.53 110.989 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.0 p -61.77 -42.4 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 2.07 110.922 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' B' ' 71' ' ' LYS . . . -64.44 -47.94 79.0 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.94 -0.647 . . . . 0.81 111.94 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.28 -47.25 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 1.15 110.607 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.99 -34.0 77.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 1.23 111.707 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.44 -29.9 73.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 1.24 112.191 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' B' ' 67' ' ' GLY . 35.0 mmtp -84.48 -37.29 21.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.384 . . . . 3.53 110.696 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.433 ' C ' ' H ' ' B' ' 74' ' ' PHE . 97.3 p -62.24 155.21 25.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.662 -0.699 . . . . 2.17 112.153 -175.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.94 17.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.524 -0.762 . . . . 2.64 110.378 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.494 ' CG ' HD12 ' B' ' 25' ' ' LEU . 78.6 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.194 -0.457 . . . . 2.4 110.17 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . 0.495 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 38.3 m80 . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.681 -0.488 . . . . 2.43 109.681 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.483 ' O ' HD11 ' B' ' 83' ' ' LEU . 43.8 tp -53.22 -32.23 47.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.256 -0.884 . . . . 1.15 111.418 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.73 69.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.297 -0.41 . . . . 1.23 111.305 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 4.5 m-20 -62.71 -37.7 87.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.246 0.546 . . . . 2.3 110.014 177.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.62 -52.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.26 -0.882 . . . . 1.22 110.752 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.483 HD11 ' O ' ' B' ' 79' ' ' LEU . 7.4 mp -62.45 -36.15 81.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.14 111.196 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.63 -38.08 80.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.271 0.557 . . . . 2.26 109.954 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -19.83 50.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.925 -0.58 . . . . 2.01 111.238 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 1.7 111.387 -177.155 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.037 0.446 . . . . 1.65 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -74.13 150.75 40.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.73 110.08 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.79 -46.65 74.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.831 0.678 . . . . 2.61 112.831 -170.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.16 -31.41 72.24 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.014 -0.274 . . . . 1.57 111.137 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.04 -42.36 80.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 1.54 109.495 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.07 -46.53 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.932 -1.031 . . . . 1.12 110.582 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.94 -38.03 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.668 . . . . 0.99 110.896 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.32 92.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 1.08 110.942 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 HD12 ' CG ' ' A' ' 74' ' ' PHE . 48.8 mt -69.0 -37.09 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.502 -0.317 . . . . 1.17 110.889 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.01 -52.4 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 1.05 110.961 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.702 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.0 m -65.65 -32.19 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.842 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.04 -40.33 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 1.59 110.222 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.625 ' HE1' ' CE2' ' A' ' 29' ' ' TYR . 46.8 t80 -63.53 -45.15 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 2.15 110.384 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 15.3 m-30 -59.27 -40.8 87.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 2.13 110.327 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 m -68.03 -28.39 67.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.627 . . . . 1.79 110.584 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 -32.95 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 1.45 110.269 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.44 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 1.08 110.571 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -81.6 -20.67 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.47 110.57 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.52 -51.05 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 2.22 109.737 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -16.7 60.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.41 0.624 . . . . 2.64 110.07 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 56.49 52.48 9.83 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 114.277 -1.328 . . . . 3.07 111.261 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.07 -13.25 27.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.76 0.79 . . . . 2.12 109.038 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.04 149.51 6.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.907 -1.042 . . . . 1.11 109.982 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -83.49 169.15 15.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.48 -0.327 . . . . 2.23 110.43 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.99 -52.27 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.305 0.642 . . . . 2.19 112.639 -172.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.0 -45.34 90.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.816 0.341 . . . . 2.3 111.018 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.67 99.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.848 -0.692 . . . . 0.42 111.955 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.86 87.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.815 0.34 . . . . 1.15 110.626 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -36.71 84.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.159 -0.473 . . . . 1.84 110.696 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 m -62.21 -37.29 84.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 1.26 110.308 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.54 -27.84 62.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 1.13 110.652 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.62 -48.93 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.481 -0.327 . . . . 0.53 110.942 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.08 -38.4 81.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.695 -0.402 . . . . 0.36 110.083 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -32.21 73.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 1.13 110.55 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.702 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.7 tpp -57.54 -49.28 76.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 1.17 110.666 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.73 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 1.99 110.466 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -60.69 -49.73 76.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.444 -0.798 . . . . 1.54 111.09 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.07 -46.67 96.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.369 . . . . 1.12 110.475 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 41.7 m -57.2 -52.77 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 1.05 111.332 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.34 -28.63 63.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.735 0.303 . . . . 2.66 111.194 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.48 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 1.06 111.229 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.51 -21.5 32.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 2.18 111.036 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.31 42.15 4.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.947 -0.644 . . . . 0.43 113.175 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 24.2 p90 -137.59 155.12 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.104 -0.332 . . . . 2.14 110.104 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.72 145.54 26.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 2.33 110.34 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -65.34 -21.72 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 4.25 110.923 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 0.72 55.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.875 0.369 . . . . 3.2 111.03 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.37 0.27 24.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.28 111.443 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -60.37 -42.48 91.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.648 -0.251 . . . . 0.54 111.294 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -65.45 -29.74 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.049 0.452 . . . . 2.08 110.048 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.44 39.13 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.759 -0.655 . . . . 0.82 112.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.13 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.411 . . . . 1.16 110.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.2 -3.14 28.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.193 0.521 . . . . 1.23 111.208 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.4 24.89 5.51 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.413 -1.075 . . . . 1.25 110.413 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.12 -64.52 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.217 -0.491 . . . . 3.53 110.425 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.1 m -87.24 -73.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.36 . . . . 2.16 110.708 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -160.72 -151.76 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.53 -0.545 . . . . 2.64 109.53 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.421 ' CG ' HD12 ' A' ' 25' ' ' LEU . 49.1 m-85 . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 108.366 -0.975 . . . . 2.4 108.366 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 108.768 -0.827 . . . . 2.43 108.768 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 83' ' ' LEU . 29.1 tp -55.84 -47.04 77.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 1.15 110.813 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.34 88.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 1.23 111.65 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.11 -44.22 91.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 2.3 109.605 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.56 -52.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 1.23 111.264 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 79' ' ' LEU . 10.8 mp -65.74 -29.36 69.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 1.14 111.577 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.33 -22.36 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.958 0.409 . . . . 2.26 110.186 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -82.98 -26.82 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 2.01 110.096 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 1.71 109.855 177.12 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.073 0.463 . . . . 1.65 110.753 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 150.72 39.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.98 -0.554 . . . . 1.73 110.271 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.72 -46.67 74.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.761 0.652 . . . . 2.61 112.761 -169.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.07 -31.63 72.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.636 0.255 . . . . 1.58 111.152 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.02 -42.33 80.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.49 0.662 . . . . 1.54 109.443 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.2 -46.48 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.951 -1.022 . . . . 1.12 110.565 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.11 69.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.929 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.45 92.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 1.08 111.027 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.422 HD12 ' CG ' ' B' ' 74' ' ' PHE . 49.0 mt -68.94 -37.08 78.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 1.17 110.948 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.97 -52.32 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 1.05 111.009 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.698 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.0 m -65.75 -32.17 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.454 -0.339 . . . . 0.23 110.732 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.97 -40.48 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 1.58 110.282 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.616 ' HE1' ' CE2' ' B' ' 29' ' ' TYR . 46.7 t80 -63.43 -45.13 92.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 2.15 110.408 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.451 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 15.3 m-30 -59.37 -40.65 87.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 2.14 110.318 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 47.0 m -67.99 -28.63 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.879 -0.6 . . . . 1.79 110.542 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.37 -33.02 66.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.42 -0.355 . . . . 1.45 110.271 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.44 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 1.08 110.526 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.44 -20.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.496 -0.32 . . . . 0.47 110.539 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -67.73 -50.76 55.7 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.734 -0.469 . . . . 2.22 109.734 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -16.36 59.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.442 0.639 . . . . 2.64 110.044 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 56.26 52.57 10.0 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 114.296 -1.32 . . . . 3.07 111.195 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.08 -13.33 26.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.768 0.794 . . . . 2.11 109.088 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.0 tt -100.96 149.42 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 1.11 110.04 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -83.44 168.94 16.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.588 -0.278 . . . . 2.24 110.52 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.79 -52.05 44.71 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.767 0.654 . . . . 2.19 112.767 -172.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.16 -45.41 91.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.769 0.319 . . . . 2.29 111.019 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.62 99.33 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.835 -0.698 . . . . 0.42 111.978 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.62 88.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.32 . . . . 1.15 110.645 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.113 0.482 . . . . 1.84 110.56 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -62.19 -37.14 84.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.791 -0.64 . . . . 1.26 110.365 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -72.54 -27.81 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.13 110.616 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.55 -49.2 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.459 -0.337 . . . . 0.53 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.86 -38.28 81.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.966 0.412 . . . . 0.36 110.164 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.14 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 1.13 110.55 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.698 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.7 tpp -57.57 -49.34 76.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.888 -0.597 . . . . 1.17 110.704 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -64.82 -40.33 95.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 1.99 110.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.6 m -60.58 -49.82 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.541 -0.754 . . . . 1.54 111.125 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.15 -46.7 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 1.12 110.439 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 40.4 m -57.1 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 1.05 111.265 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.28 -28.57 63.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.628 -0.26 . . . . 2.66 111.15 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.44 73.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 1.06 111.253 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.25 -21.67 33.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 2.17 111.073 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.4 42.01 4.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.852 -0.69 . . . . 0.43 113.113 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 24.5 p90 -137.57 155.2 49.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.943 0.372 . . . . 2.14 110.059 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.83 145.4 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.184 -0.462 . . . . 2.33 110.359 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -65.05 -21.47 66.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.511 -0.768 . . . . 4.25 111.114 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 0.68 55.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.929 0.395 . . . . 3.19 110.918 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.25 0.13 24.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.28 111.358 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -60.23 -42.38 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.686 -0.234 . . . . 0.53 111.262 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -65.8 -29.22 69.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.179 0.514 . . . . 2.07 110.079 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.56 37.17 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.877 -0.601 . . . . 0.81 112.04 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.2 -41.54 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.392 . . . . 1.15 110.92 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.33 -2.92 27.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.171 0.51 . . . . 1.23 111.274 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.44 24.84 5.51 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.341 -1.104 . . . . 1.24 110.341 173.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -108.91 -64.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.225 -0.487 . . . . 3.53 110.546 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.7 m -87.16 -73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.917 0.389 . . . . 2.17 110.551 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -160.5 -151.68 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.987 -0.551 . . . . 2.64 109.618 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.422 ' CG ' HD12 ' B' ' 25' ' ' LEU . 49.2 m-85 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 108.421 -0.955 . . . . 2.4 108.421 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.754 -0.832 . . . . 2.43 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.432 ' O ' HD11 ' B' ' 83' ' ' LEU . 29.1 tp -55.96 -47.16 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.4 . . . . 1.15 110.702 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.43 89.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.208 -0.451 . . . . 1.23 111.669 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.05 -44.14 91.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.37 0.605 . . . . 2.3 109.652 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.65 -52.95 54.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.962 -1.017 . . . . 1.22 111.234 177.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.432 HD11 ' O ' ' B' ' 79' ' ' LEU . 10.8 mp -65.57 -29.41 70.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.042 -0.526 . . . . 1.14 111.597 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.37 -22.21 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.09 0.471 . . . . 2.26 110.24 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -26.88 30.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 2.01 110.05 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 1.7 109.853 177.118 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.605 -0.517 . . . . 1.65 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -72.09 159.11 34.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.802 -0.636 . . . . 1.73 109.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -50.52 -49.35 55.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.581 0.229 . . . . 2.61 111.539 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.05 -33.64 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 1.57 111.466 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' ' HB3' ' A' ' 72' ' ' SER . 51.1 mt-10 -68.71 -41.09 79.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.22 0.533 . . . . 1.54 110.212 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.55 -47.17 78.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.544 -0.753 . . . . 1.12 110.538 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.76 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.99 110.839 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.83 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 1.08 110.587 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -65.51 -36.74 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 1.17 111.177 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.59 -51.16 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.875 -0.602 . . . . 1.05 110.934 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.59 -30.78 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.889 -0.324 . . . . 0.24 110.659 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 78' ' ' HIS . 17.5 t-20 -60.93 -45.47 94.56 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.245 -0.434 . . . . 1.59 110.632 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CE2' HD12 ' A' ' 33' ' ' ILE . 41.2 t80 -60.15 -51.33 70.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 2.15 110.628 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.613 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 21.8 m-85 -61.39 -39.64 91.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.363 -0.381 . . . . 2.13 110.726 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -60.63 -41.9 95.81 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.79 110.364 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.8 t -65.23 -37.14 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.77 0.319 . . . . 1.45 110.41 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 65.4 mt -63.19 -45.95 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.416 . . . . 1.08 111.035 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.14 -24.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.47 111.273 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.14 -51.24 59.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 2.22 110.086 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -77.84 -11.91 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.558 0.694 . . . . 2.64 110.27 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp 58.25 53.77 6.25 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 114.296 -1.32 . . . . 3.07 111.113 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.77 -26.98 21.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.656 0.741 . . . . 2.12 109.476 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.4 tt -88.95 156.73 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 114.952 -1.022 . . . . 1.11 110.58 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.59 167.33 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.406 -0.361 . . . . 2.23 110.889 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -57.68 -54.38 47.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.625 -0.262 . . . . 2.19 111.52 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.21 -38.82 87.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 2.3 110.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.55 99.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.882 -0.675 . . . . 0.42 112.043 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.64 91.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 1.15 110.674 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.05 -37.02 83.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.907 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -64.15 -41.5 97.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 1.26 110.151 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.75 -29.78 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.13 111.123 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.37 -60.15 3.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.53 110.809 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.6 -36.83 76.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.944 0.402 . . . . 0.36 110.71 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.08 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 1.13 110.679 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.417 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 11.6 ttm -70.76 -38.59 73.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.213 -0.449 . . . . 1.17 110.984 -176.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.64 -40.51 95.13 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.34 -0.615 . . . . 1.99 109.34 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 78.1 m -60.26 -51.56 69.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.354 -0.839 . . . . 1.54 110.791 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.1 mt -55.85 -53.23 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.201 0.524 . . . . 1.12 110.449 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 17.9 m -59.62 -51.55 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.05 111.689 -175.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.56 -35.78 75.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.404 -0.362 . . . . 2.66 111.13 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.8 93.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.447 -0.342 . . . . 1.06 111.363 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.61 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 44.1 m-85 -82.55 -29.49 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.884 0.373 . . . . 2.18 111.294 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.32 37.35 3.83 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.771 -0.728 . . . . 0.43 113.055 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 27.7 p90 -138.98 159.48 42.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.623 -0.51 . . . . 2.14 109.623 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -103.04 154.53 19.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.305 0.574 . . . . 2.33 110.754 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -64.71 -18.49 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.198 -0.91 . . . . 4.25 112.614 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.64 -7.28 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 3.2 110.832 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.98 -2.93 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.838 0.351 . . . . 1.28 111.224 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 p -57.62 -44.41 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.977 -0.556 . . . . 0.54 111.86 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -65.27 -35.56 81.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 2.08 111.004 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.06 -37.0 82.11 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.019 -0.61 . . . . 0.82 111.973 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.54 -43.99 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 1.16 110.241 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 95.2 mt -63.65 -41.73 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.785 -0.643 . . . . 1.23 110.816 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.27 -25.77 67.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.069 -0.586 . . . . 1.25 113.091 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -94.61 0.11 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.723 -0.281 . . . . 3.53 111.426 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.415 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 21.9 p -119.56 -173.56 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.299 0.481 . . . . 2.16 112.299 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.14 -19.32 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.64 111.458 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 25' ' ' LEU . 6.3 m-85 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.606 -0.724 . . . . 2.4 111.342 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.555 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 34.5 m80 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.731 0.3 . . . . 2.43 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 60.3 tp -55.16 -38.05 67.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.805 -0.634 . . . . 1.15 111.022 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.41 84.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.829 -0.623 . . . . 1.23 112.013 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.555 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 7.0 m-20 -58.08 -40.44 81.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.494 0.664 . . . . 2.3 109.818 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.24 -53.53 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.009 -0.996 . . . . 1.23 111.075 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.24 -33.31 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.164 0.431 . . . . 1.14 112.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -62.26 -40.46 96.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.332 0.587 . . . . 2.26 110.176 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.1 -42.56 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.409 -0.814 . . . . 2.01 110.919 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 1.71 111.496 -177.708 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.636 -0.505 . . . . 1.65 109.636 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.2 t -72.13 159.31 34.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.605 . . . . 1.73 109.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -50.72 -49.16 58.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.639 0.257 . . . . 2.61 111.631 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.1 -33.64 76.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.426 -0.352 . . . . 1.58 111.498 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.81 -41.2 78.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.314 0.578 . . . . 1.54 110.18 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.32 -47.31 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 1.12 110.48 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.78 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.82 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.85 74.81 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.959 -0.564 . . . . 1.08 110.584 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' B' ' 74' ' ' PHE . 17.1 mt -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 1.17 111.134 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.48 -51.26 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.956 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.48 -30.86 44.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.987 -0.285 . . . . 0.23 110.66 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . 0.532 ' OD1' ' HA ' ' B' ' 78' ' ' HIS . 17.3 t-20 -60.95 -45.43 94.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.643 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.406 ' CE2' HD12 ' B' ' 33' ' ' ILE . 41.3 t80 -60.13 -51.29 70.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.567 . . . . 2.15 110.673 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.591 ' HD1' ' CD2' ' B' ' 30' ' ' PHE . 21.7 m-85 -61.6 -39.54 91.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 2.14 110.694 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -60.5 -41.99 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.79 110.395 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 14.0 t -65.12 -37.2 86.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 1.45 110.412 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 65.7 mt -63.3 -45.83 97.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.282 -0.417 . . . . 1.08 111.131 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.07 -25.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.65 -0.25 . . . . 0.47 111.219 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.05 -51.29 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 2.22 110.065 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.2 OUTLIER -77.95 -11.66 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.524 0.678 . . . . 2.64 110.216 178.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp 57.89 53.88 6.57 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 114.248 -1.342 . . . . 3.07 111.204 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.87 -27.03 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.771 0.796 . . . . 2.11 109.543 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.415 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.5 tt -88.85 156.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.932 -1.031 . . . . 1.11 110.436 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.47 167.09 17.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.4 -0.364 . . . . 2.24 110.997 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.88 -53.79 54.19 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 111.588 0.218 . . . . 2.19 111.588 -173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.53 -38.92 89.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.488 -0.323 . . . . 2.29 110.721 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.15 -43.66 99.13 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.881 -0.676 . . . . 0.42 112.01 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.62 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 1.15 110.623 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.17 -36.84 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.882 -0.599 . . . . 1.84 110.881 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.5 m -64.24 -41.45 96.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 1.26 110.179 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.77 -29.84 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 1.13 111.099 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.32 -60.27 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.454 -0.339 . . . . 0.53 110.729 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.49 -36.92 77.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.97 0.414 . . . . 0.36 110.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.0 -34.89 78.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 1.13 110.801 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 11.4 ttm -70.66 -38.73 73.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.156 -0.475 . . . . 1.17 111.076 -176.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.58 -40.57 95.22 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.299 -0.63 . . . . 1.99 109.299 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 78.0 m -60.23 -51.55 69.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 1.54 110.814 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.4 ' O ' ' HD2' ' B' ' 58' ' ' PHE . 54.9 mt -55.68 -53.36 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.177 0.513 . . . . 1.12 110.497 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.0 m -59.53 -51.62 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.458 -0.792 . . . . 1.05 111.627 -175.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.63 -35.77 75.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 2.66 111.173 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.95 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 1.06 111.425 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.638 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 44.5 m-85 -81.98 -30.52 31.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 2.17 111.177 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 38.09 3.56 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.741 -0.742 . . . . 0.43 112.861 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.628 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 27.6 p90 -139.53 159.43 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.622 -0.51 . . . . 2.14 109.622 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -103.06 154.48 19.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.13 0.491 . . . . 2.33 110.768 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -64.92 -18.18 65.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.282 -0.872 . . . . 4.25 112.587 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -90.63 -7.58 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.95 0.405 . . . . 3.19 110.75 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.75 -2.8 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.287 -0.415 . . . . 1.28 111.14 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 3.2 p -57.97 -44.42 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.53 111.871 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -65.33 -35.57 81.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.799 0.333 . . . . 2.07 111.036 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.85 -36.67 82.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.929 -0.653 . . . . 0.81 111.957 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.95 -44.09 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 1.15 110.289 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 95.0 mt -63.5 -41.66 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.735 -0.666 . . . . 1.23 110.857 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.45 -25.66 67.22 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.132 -0.556 . . . . 1.24 112.971 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -94.66 0.37 55.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.711 -0.287 . . . . 3.53 111.563 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.2 p -119.88 -173.5 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.244 0.461 . . . . 2.17 112.244 -174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.16 -19.34 65.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.687 -0.688 . . . . 2.64 111.502 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' B' ' 25' ' ' LEU . 6.3 m-85 . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.66 -0.7 . . . . 2.4 111.352 -170.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . 0.553 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 34.5 m80 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.777 0.323 . . . . 2.43 110.476 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 60.2 tp -55.05 -38.01 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.65 . . . . 1.15 111.155 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.38 84.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.765 -0.652 . . . . 1.23 112.009 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 6.9 m-20 -58.15 -40.67 81.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.58 0.705 . . . . 2.3 109.764 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.92 -53.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.967 -1.015 . . . . 1.22 111.067 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.45 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.109 0.411 . . . . 1.14 112.109 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.23 -40.84 97.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.368 0.604 . . . . 2.26 110.106 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -77.73 -42.39 34.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.417 -0.811 . . . . 2.01 111.039 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 1.7 111.525 -177.678 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 120.939 0.399 . . . . 1.65 111.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.7 t -65.5 145.58 55.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.806 -0.813 . . . . 1.73 108.806 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -53.83 -42.81 68.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.703 0.287 . . . . 2.61 111.334 -169.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.5 -30.43 70.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.078 -0.51 . . . . 1.57 111.562 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 56.7 mt-10 -68.98 -37.28 78.67 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.182 0.515 . . . . 1.54 110.616 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -50.41 59.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.7 -0.682 . . . . 1.12 109.79 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.61 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.477 -0.783 . . . . 0.99 110.794 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . -55.91 -51.42 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 1.08 110.947 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HB3' HD11 ' A' ' 79' ' ' LEU . 49.5 mt -69.08 -34.87 75.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.727 0.299 . . . . 1.17 110.906 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.13 -52.2 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 1.05 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.79 -30.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.637 0.256 . . . . 0.24 110.802 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.98 -41.84 98.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.036 0.446 . . . . 1.59 109.947 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.616 ' HE2' ' CE1' ' A' ' 29' ' ' TYR . 53.9 t80 -63.68 -48.92 75.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.98 -0.555 . . . . 2.15 110.743 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.633 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 16.9 m-85 -59.73 -41.05 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 2.13 110.841 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 t -66.38 -35.34 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.394 -0.366 . . . . 1.79 110.084 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -64.64 -31.95 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 1.45 110.569 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -49.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 1.08 110.564 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.66 -23.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 0.47 110.81 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -38.94 80.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.928 -0.578 . . . . 2.22 110.99 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -102.04 2.76 38.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 2.64 110.927 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.79 57.84 5.67 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.262 -0.881 . . . . 3.07 110.302 -174.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.35 -32.78 24.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.947 0.879 . . . . 2.12 109.195 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' B' ' 57' ' ' ALA . 16.5 tt -103.63 155.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.515 -1.221 . . . . 1.11 110.613 -173.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 t -81.38 179.44 7.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.197 -0.456 . . . . 2.23 110.64 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -58.79 -50.67 73.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.096 -0.502 . . . . 2.19 111.731 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.47 -47.7 78.66 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.923 0.392 . . . . 2.3 110.99 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -65.38 -43.54 94.83 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.884 -0.674 . . . . 0.42 112.264 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.48 89.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 1.15 110.854 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -39.57 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 1.84 111.363 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 p -69.87 -31.88 69.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.831 0.348 . . . . 1.26 110.662 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 63.8 mt -67.29 -27.12 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 1.13 110.593 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -68.13 -49.06 63.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.434 -0.348 . . . . 0.53 111.027 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.15 -33.8 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.971 0.415 . . . . 0.36 110.173 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.91 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 1.13 110.657 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 tpp -57.85 -52.04 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 1.17 110.714 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.05 -27.92 69.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.036 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.73 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 1.54 110.417 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 58.3 mt -64.11 -48.83 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 1.12 110.678 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.539 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 29.7 p -61.95 -49.17 77.2 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.05 -0.523 . . . . 1.05 111.308 -176.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.69 -22.89 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 2.66 110.886 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -70.73 -47.37 60.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.489 . . . . 1.06 111.309 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 77.1 m-85 -86.97 -27.27 23.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 2.18 111.975 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.28 31.56 4.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.286 -0.959 . . . . 0.43 113.322 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 41.4 p90 -138.16 149.19 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 2.14 109.197 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -85.77 159.64 19.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.032 -0.267 . . . . 2.33 110.596 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -54.81 -48.81 72.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.726 0.298 . . . . 4.25 111.153 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.0 -8.7 51.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.932 0.345 . . . . 3.2 111.932 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.59 -12.34 48.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.472 0.177 . . . . 1.28 111.444 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.26 -30.9 51.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.895 0.378 . . . . 0.54 110.907 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -61.74 -40.89 96.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 2.08 110.331 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.95 -36.99 87.45 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.953 -0.642 . . . . 0.82 111.99 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.97 -48.87 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.432 . . . . 1.16 110.095 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.79 0.78 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.949 -0.569 . . . . 1.23 111.597 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.72 -44.4 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 1.25 111.242 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -84.57 -41.87 16.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.84 -0.18 . . . . 3.53 111.44 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.2 m -67.42 151.82 46.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.565 . . . . 2.16 111.692 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.32 -13.92 62.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.259 -0.882 . . . . 2.64 111.039 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 64.7 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.877 -0.602 . . . . 2.4 110.428 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.158 -0.682 . . . . 2.43 109.158 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD11 ' A' ' 83' ' ' LEU . 61.3 tp -55.59 -33.04 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.164 -0.925 . . . . 1.15 111.6 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' B' ' 17' ' ' ALA . . . -63.93 -48.73 75.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.282 -0.417 . . . . 1.23 111.312 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.51 -41.09 96.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.252 0.548 . . . . 2.3 110.18 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.58 -47.29 82.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.052 -0.976 . . . . 1.23 110.769 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' B' ' 74' ' ' PHE . 5.9 mp -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.769 -0.651 . . . . 1.14 111.176 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.81 -13.52 61.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.854 0.359 . . . . 2.26 111.273 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.5 m -82.24 -9.31 59.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.293 -0.412 . . . . 2.01 110.911 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 1.71 110.93 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . . . . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 120.979 0.418 . . . . 1.65 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.452 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 36.6 t -65.62 145.34 56.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.791 -0.818 . . . . 1.73 108.791 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -53.67 -42.68 68.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.65 0.262 . . . . 2.61 111.371 -169.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.61 -30.5 70.8 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.522 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 56.5 mt-10 -68.85 -37.36 79.08 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.192 0.52 . . . . 1.54 110.594 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -67.98 -50.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.681 -0.69 . . . . 1.12 109.794 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.64 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.751 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' B' ' 21' ' ' GLU . . . -55.8 -51.57 67.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.08 110.921 176.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.469 ' HB3' HD11 ' B' ' 79' ' ' LEU . 50.8 mt -68.86 -34.93 76.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.307 . . . . 1.17 110.969 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.12 -52.26 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 1.05 110.93 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.75 -30.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 121.082 -0.247 . . . . 0.23 110.766 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.13 -41.86 98.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.886 -0.413 . . . . 1.58 109.886 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.643 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 54.4 t80 -63.56 -48.99 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 2.15 110.776 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 16.7 m-85 -59.78 -40.93 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 2.14 110.853 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 t -66.5 -35.19 79.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.367 -0.379 . . . . 1.79 110.177 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.9 t -64.74 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 1.45 110.499 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.2 -49.76 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.08 110.613 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.68 -23.75 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.852 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.96 -39.17 80.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.971 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -101.83 2.9 38.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 2.64 110.904 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.55 58.07 5.53 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.297 -0.865 . . . . 3.07 110.329 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.65 -32.39 23.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.999 0.904 . . . . 2.11 109.197 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.458 HD12 ' HB2' ' A' ' 57' ' ' ALA . 16.5 tt -103.8 155.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.528 -1.214 . . . . 1.11 110.679 -173.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 t -81.11 179.33 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.084 -0.507 . . . . 2.24 110.815 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -58.82 -50.71 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.759 -171.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.41 -47.8 78.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 2.29 110.979 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -65.24 -43.66 94.98 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.899 -0.667 . . . . 0.42 112.26 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.47 89.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 1.15 110.79 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.88 -39.43 87.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 1.84 111.328 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.5 p -70.0 -31.67 69.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 1.26 110.601 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 64.0 mt -67.6 -26.94 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.29 . . . . 1.13 110.596 174.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.08 -49.13 63.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.471 -0.331 . . . . 0.53 111.047 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.95 -34.01 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.36 110.216 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.01 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.567 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.4 tpp -57.83 -52.04 67.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 1.17 110.663 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.03 -27.97 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.99 111.066 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.67 -45.52 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 1.54 110.398 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.447 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 58.2 mt -63.94 -48.9 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.42 . . . . 1.12 110.73 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 29.0 p -61.97 -49.07 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.306 -176.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -68.87 -22.68 64.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 2.66 110.922 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -70.82 -47.34 59.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.064 -0.517 . . . . 1.06 111.356 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.447 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 77.0 m-85 -87.03 -27.09 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.103 0.409 . . . . 2.17 112.103 -174.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.57 4.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.272 -0.966 . . . . 0.43 113.402 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' B' ' 60' ' ' PHE . 41.2 p90 -138.2 149.23 45.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.252 -0.648 . . . . 2.14 109.252 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -85.87 159.51 19.67 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 121.13 -0.228 . . . . 2.33 110.557 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -54.63 -49.12 71.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.564 0.221 . . . . 4.25 111.076 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.87 -8.5 49.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.015 0.376 . . . . 3.19 112.015 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.65 -12.49 48.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.537 0.199 . . . . 1.28 111.537 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.15 -30.98 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.53 110.734 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.0 t -61.72 -40.71 96.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 2.07 110.367 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.05 86.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.943 -0.646 . . . . 0.81 111.941 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.85 -48.89 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 1.15 110.14 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.95 0.97 11.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 1.23 111.569 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 -44.38 4.85 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.524 -0.846 . . . . 1.24 111.181 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -84.6 -41.93 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.197 . . . . 3.53 111.407 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -67.43 151.85 46.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.179 0.514 . . . . 2.17 111.706 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.23 -14.07 62.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.337 -0.847 . . . . 2.64 111.043 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' B' ' 74' ' ' PHE . 64.6 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.902 -0.59 . . . . 2.4 110.482 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.267 -0.642 . . . . 2.43 109.267 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.504 ' O ' HD11 ' B' ' 83' ' ' LEU . 61.5 tp -55.57 -33.07 63.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.173 -0.922 . . . . 1.15 111.563 -174.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.77 75.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.273 -0.421 . . . . 1.23 111.305 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.35 -41.28 96.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.497 0.665 . . . . 2.3 110.252 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.47 -47.24 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.845 -1.07 . . . . 1.22 110.697 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.602 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 5.8 mp -68.06 -34.89 77.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.615 . . . . 1.14 111.191 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.77 -14.14 62.27 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.88 0.372 . . . . 2.26 111.205 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -82.17 -7.96 59.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.201 -0.454 . . . . 2.01 111.076 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 1.7 110.894 179.472 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.199 0.523 . . . . 1.65 109.65 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 23.3 t -76.19 162.64 27.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.785 -0.643 . . . . 1.73 110.182 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.01 -51.72 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.771 0.319 . . . . 2.61 111.254 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.36 -29.65 70.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.57 111.476 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 52.0 mt-10 -67.46 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 1.54 110.103 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mt -65.5 -48.18 83.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.282 -0.872 . . . . 1.12 110.001 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -30.12 69.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.448 -0.796 . . . . 0.99 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -52.77 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 1.08 111.058 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 mt -67.66 -34.23 76.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.998 -0.281 . . . . 1.17 110.926 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.5 -53.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 1.05 110.979 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.3 -32.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 121.136 -0.226 . . . . 0.24 110.949 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.42 -39.55 94.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.59 110.441 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.604 ' HD1' ' CD2' ' A' ' 29' ' ' TYR . 51.2 t80 -60.93 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.558 -0.292 . . . . 2.15 110.404 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -38.44 86.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.866 0.365 . . . . 2.13 110.375 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.93 -40.56 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 1.79 110.085 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 m -64.22 -34.12 77.37 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.98 0.419 . . . . 1.45 110.702 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 60.7 mt -65.72 -50.98 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.874 -0.603 . . . . 1.08 110.939 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.06 -21.19 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.616 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.83 -59.21 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 2.22 110.874 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HG3' ' HG2' ' A' ' 38' ' ' GLU . 21.6 pttm -96.19 12.31 31.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.551 . . . . 2.64 111.522 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.5 64.66 1.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.937 -1.029 . . . . 3.07 111.702 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 27.7 mm-40 -93.97 -14.19 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.514 0.673 . . . . 2.12 109.903 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.1 tt -113.35 167.36 6.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.22 -0.9 . . . . 1.11 109.835 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 p -69.77 163.13 26.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.769 -0.196 . . . . 2.23 110.495 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.25 -46.45 88.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 2.19 110.442 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.16 -44.47 92.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 2.3 110.527 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -37.31 94.44 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.872 -0.68 . . . . 0.42 112.197 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.12 96.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.642 0.258 . . . . 1.15 110.776 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.3 -37.21 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.84 110.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.3 -40.09 93.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.955 -0.566 . . . . 1.26 110.031 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.36 -27.11 68.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.361 -0.381 . . . . 1.13 111.182 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.68 -53.53 45.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.53 110.826 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.52 -34.13 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.893 0.378 . . . . 0.36 110.238 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.78 95.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 1.13 110.547 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.0 ttm -65.94 -35.98 82.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 1.17 111.345 -176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.38 -42.41 98.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.283 -0.636 . . . . 1.99 109.283 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.5 -38.47 77.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.249 -0.887 . . . . 1.54 111.265 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.1 -50.0 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.25 0.548 . . . . 1.12 109.756 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 14.2 m -63.34 -41.63 98.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.79 . . . . 1.05 110.669 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.36 -43.19 91.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.505 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.5 86.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 1.06 111.663 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.629 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 46.0 m-85 -83.99 -20.31 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 2.18 111.454 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.88 44.57 7.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.43 113.128 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 9.1 p90 -139.36 153.25 47.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.604 -0.351 . . . . 2.14 110.272 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.52 147.88 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 2.33 110.648 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -65.48 -17.39 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.533 -0.758 . . . . 4.25 110.628 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 -12.54 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.333 -0.394 . . . . 3.2 110.94 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.51 -16.81 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 1.28 111.253 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.28 -39.3 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.328 -0.396 . . . . 0.54 111.721 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m -61.38 -44.57 96.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 2.08 111.026 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.62 90.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.827 -0.701 . . . . 0.82 112.079 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.94 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 1.16 110.759 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.34 -6.79 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 1.23 111.628 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.37 -42.71 2.91 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.516 -0.85 . . . . 1.25 111.685 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.59 -51.22 9.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.881 0.372 . . . . 3.53 111.661 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.11 164.71 25.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.734 0.778 . . . . 2.16 112.485 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.93 -6.76 35.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.468 -1.242 . . . . 2.64 111.574 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 2.4 110.421 -179.128 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.3 m170 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.921 0.391 . . . . 2.43 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.506 ' O ' HD11 ' A' ' 83' ' ' LEU . 45.3 tp -52.04 -43.52 63.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.433 -0.803 . . . . 1.15 111.265 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.69 91.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 1.23 111.135 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.7 -40.84 89.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.59 . . . . 2.3 110.21 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.72 -46.12 97.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.187 -0.915 . . . . 1.23 111.535 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 HD11 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -69.89 -40.03 75.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 1.14 111.096 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.04 -21.98 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 2.26 110.522 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -71.22 -22.44 62.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 2.01 110.475 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 1.71 109.834 177.502 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.134 0.492 . . . . 1.65 109.708 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.414 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 23.0 t -76.14 162.43 28.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 1.73 110.265 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.97 -51.69 68.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 2.61 111.221 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.34 -29.65 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 1.58 111.617 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.414 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 52.5 mt-10 -67.31 -44.17 79.85 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.608 0.718 . . . . 1.54 110.115 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.07 -48.37 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.111 -0.95 . . . . 1.12 109.878 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.17 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.02 62.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 1.08 110.945 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.2 -34.32 77.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.738 -0.385 . . . . 1.17 111.109 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.47 -53.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 1.05 111.01 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.24 -32.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.615 0.245 . . . . 0.23 111.062 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -64.3 -39.78 94.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.479 -0.328 . . . . 1.58 110.382 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.631 ' HD1' ' CD2' ' B' ' 29' ' ' TYR . 51.0 t80 -60.77 -48.7 80.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 2.15 110.484 177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.16 -38.37 86.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 2.14 110.411 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -40.69 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.539 . . . . 1.79 110.102 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.8 m -63.95 -34.59 78.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.108 0.48 . . . . 1.45 110.632 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 60.4 mt -65.39 -50.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.716 -0.675 . . . . 1.08 110.911 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.31 -20.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.695 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.23 -59.24 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.389 . . . . 2.22 110.808 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.491 ' HG3' ' HG2' ' B' ' 38' ' ' GLU . 21.5 pttm -96.26 12.43 31.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.244 0.545 . . . . 2.64 111.518 -177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.62 64.62 1.28 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.915 -1.038 . . . . 3.07 111.689 174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.491 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 29.0 mm-40 -94.04 -14.03 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.414 0.626 . . . . 2.11 109.901 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.515 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.1 tt -113.42 167.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.315 -0.857 . . . . 1.11 109.844 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 30.4 p -69.93 163.22 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.523 -0.177 . . . . 2.24 110.523 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.25 -46.71 87.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.829 0.347 . . . . 2.19 110.405 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.98 -44.65 91.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.784 -0.644 . . . . 2.29 110.47 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.4 94.63 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.42 112.167 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 1.15 110.84 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.28 -37.22 86.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 1.84 110.648 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.22 -40.1 93.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.995 -0.548 . . . . 1.26 109.981 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.52 -26.96 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 1.13 111.2 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.66 -53.68 43.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 0.53 110.853 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.41 -34.2 67.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.798 -0.361 . . . . 0.36 110.223 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.83 95.02 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 1.13 110.474 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 14.1 ttm -65.83 -36.14 82.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.606 . . . . 1.17 111.392 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.7 m -69.33 -38.64 78.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.119 -0.946 . . . . 1.54 111.256 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 54.2 mt -58.98 -50.01 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.243 0.544 . . . . 1.12 109.778 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.5 m -63.38 -41.68 98.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.441 -0.799 . . . . 1.05 110.614 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.14 -43.69 91.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.655 -0.702 . . . . 2.66 111.349 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.51 . . . . 1.06 111.605 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.617 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 46.0 m-85 -83.88 -20.06 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.427 -0.351 . . . . 2.17 111.366 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.93 7.67 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.166 -0.54 . . . . 0.43 113.043 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 9.4 p90 -139.67 153.33 47.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.978 0.389 . . . . 2.14 110.171 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.53 148.04 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 2.33 110.759 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -66.02 -16.54 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.704 . . . . 4.25 110.679 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.17 -12.59 46.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.89 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.51 -16.75 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.339 -0.392 . . . . 1.28 111.279 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.27 -39.54 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.287 -0.415 . . . . 0.53 111.636 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.3 m -61.21 -44.63 96.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 2.07 111.137 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.47 -39.75 91.22 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.927 -0.654 . . . . 0.81 111.991 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.88 -45.47 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 1.15 110.761 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.6 -6.71 42.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.311 -0.404 . . . . 1.23 111.648 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.36 -42.95 2.85 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.645 -0.788 . . . . 1.24 111.658 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.44 -51.21 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.69 0.281 . . . . 3.53 111.634 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 55.4 m -71.17 164.77 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.584 0.707 . . . . 2.17 112.572 -170.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.96 -6.82 35.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.557 -1.201 . . . . 2.64 111.452 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.907 -0.588 . . . . 2.4 110.402 -179.208 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.003 0.43 . . . . 2.43 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HD11 ' B' ' 83' ' ' LEU . 45.3 tp -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.529 -0.76 . . . . 1.15 111.289 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.8 91.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 1.23 111.183 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.47 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 2.3 110.307 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.75 -46.04 97.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.128 -0.942 . . . . 1.22 111.657 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.502 HD11 ' O ' ' B' ' 79' ' ' LEU . 10.6 mp -69.89 -40.06 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.812 0.339 . . . . 1.14 111.119 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -67.94 -21.96 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.06 0.457 . . . . 2.26 110.476 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -71.27 -22.46 61.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 2.01 110.436 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.105 0.479 . . . . 1.7 109.872 177.477 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.347 0.594 . . . . 1.65 110.608 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 t -71.4 142.47 50.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.422 -0.808 . . . . 1.73 109.382 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -56.71 -30.34 63.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.441 -0.8 . . . . 2.61 111.956 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.94 -38.94 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 1.57 110.653 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -69.5 -46.74 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.284 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.18 -51.38 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 1.12 110.544 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.42 84.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.99 110.882 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.97 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 1.08 110.938 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.36 -38.49 87.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 1.17 110.694 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.72 -52.14 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 1.05 111.227 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.17 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.815 0.34 . . . . 0.24 110.721 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.41 -37.87 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.59 110.168 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.91 -49.88 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 2.15 110.492 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.77 -37.42 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 2.13 110.451 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -35.04 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.127 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -68.68 -33.17 73.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.384 . . . . 1.45 110.288 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 51.2 mt -63.1 -45.94 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.08 110.525 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.73 -21.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.432 . . . . 0.47 110.973 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.47 -49.58 73.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.034 0.445 . . . . 2.22 110.113 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.93 -1.94 58.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.347 0.594 . . . . 2.64 110.454 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.59 52.85 13.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.501 -1.227 . . . . 3.07 111.269 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -84.82 -28.0 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.547 -0.909 . . . . 2.12 108.547 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.0 tt -90.9 156.16 3.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.707 -1.133 . . . . 1.11 110.176 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -75.91 166.08 24.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 2.23 110.818 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -52.11 -50.78 60.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.276 0.36 . . . . 2.19 111.839 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.28 -44.77 80.12 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.206 -0.452 . . . . 2.3 110.937 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -68.62 -35.16 80.17 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.68 -0.771 . . . . 0.42 112.181 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.93 81.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.627 0.251 . . . . 1.15 110.922 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.26 -35.22 80.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.157 0.503 . . . . 1.84 110.529 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -65.92 -38.0 87.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.643 -0.708 . . . . 1.26 110.455 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 -26.16 65.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 1.13 111.178 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -66.33 -55.35 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.499 -0.319 . . . . 0.53 110.746 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.31 -37.99 81.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 110.252 -0.277 . . . . 0.36 110.252 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.28 87.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 1.13 110.408 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 8.5 ttm -62.3 -41.97 98.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.737 -0.665 . . . . 1.17 111.473 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.03 -44.08 94.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.084 -0.507 . . . . 1.99 109.753 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.79 -38.56 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.507 -0.77 . . . . 1.54 111.515 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.95 -51.13 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.265 0.555 . . . . 1.12 109.719 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -63.71 -43.63 95.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.352 -0.84 . . . . 1.05 110.735 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.45 -35.38 79.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.643 . . . . 2.66 110.605 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.36 -48.2 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.06 111.788 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.64 -22.9 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 2.18 111.386 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.15 47.66 2.8 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.784 -0.722 . . . . 0.43 112.934 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.623 ' HE1' ' CE2' ' A' ' 60' ' ' PHE . 49.1 p90 -143.92 167.26 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.868 -0.419 . . . . 2.14 109.868 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.77 150.32 23.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.009 0.433 . . . . 2.33 110.444 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.28 -19.94 63.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 4.25 110.947 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.17 -7.33 59.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 3.2 110.462 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.0 8.99 24.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.112 -0.494 . . . . 1.28 111.166 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.33 -35.33 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.54 110.331 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 p -68.81 -28.42 66.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 2.08 110.497 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.77 58.14 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.82 111.597 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.84 -49.6 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.737 0.303 . . . . 1.16 110.211 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 83.8 mt -74.03 4.69 5.11 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.178 -0.465 . . . . 1.23 111.702 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.53 -19.61 19.9 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.586 -0.816 . . . . 1.25 111.699 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.97 -14.74 12.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.849 0.357 . . . . 3.53 110.884 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.415 ' OG ' ' HA ' ' A' ' 69' ' ' LEU . 59.1 p -72.26 161.78 30.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 2.16 111.071 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.48 23.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.175 0.512 . . . . 2.64 110.497 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.549 -0.75 . . . . 2.4 109.077 177.748 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.0 m170 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.552 -0.166 . . . . 2.43 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 46.5 tp -52.43 -52.68 52.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.15 111.396 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.614 . . . . 1.23 111.921 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.54 -36.13 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 2.3 109.963 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 74.1 mt -60.18 -51.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 1.23 110.228 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.58 -31.53 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 1.14 111.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -64.71 -28.78 69.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 2.26 110.848 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t -83.67 -9.84 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.076 -0.511 . . . . 2.01 110.597 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.71 110.844 -178.047 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.346 0.593 . . . . 1.65 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.4 t -71.4 142.35 50.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.577 -0.738 . . . . 1.73 109.362 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.68 -30.3 63.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.459 -0.791 . . . . 2.61 111.863 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 1.58 110.634 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.45 -46.68 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 1.54 110.397 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.27 -51.3 74.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.141 -0.936 . . . . 1.12 110.552 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.36 84.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.99 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.23 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.08 110.951 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 87.7 mt -66.42 -38.55 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 1.17 110.7 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.69 -52.16 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 1.05 111.22 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.28 -33.39 63.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.932 -0.307 . . . . 0.23 110.681 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.42 -38.19 84.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 1.58 110.098 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.62 -49.97 71.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.385 . . . . 2.15 110.515 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.71 -37.51 84.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 2.14 110.471 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.79 110.172 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -32.96 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 1.45 110.43 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 50.8 mt -63.32 -45.83 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.381 -0.372 . . . . 1.08 110.507 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.74 -22.03 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.47 110.965 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -49.61 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.22 110.187 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.9 -1.9 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 2.64 110.442 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.64 52.55 13.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.476 -1.238 . . . . 3.07 111.222 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -84.43 -28.22 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.492 -0.929 . . . . 2.11 108.492 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.471 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.9 tt -90.89 155.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.733 -1.121 . . . . 1.11 110.265 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -75.45 166.11 24.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.506 -0.316 . . . . 2.24 110.89 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.29 -50.71 61.62 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.319 0.387 . . . . 2.19 111.867 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -56.18 -44.96 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 2.29 110.894 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.58 -35.19 80.46 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.716 -0.754 . . . . 0.42 112.153 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.01 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 1.15 110.978 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.18 -35.29 80.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.116 0.484 . . . . 1.84 110.415 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -66.02 -37.88 87.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.754 -0.657 . . . . 1.26 110.465 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.77 -26.1 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 1.13 111.112 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.44 -55.33 16.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.32 . . . . 0.53 110.805 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.13 -38.05 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.36 110.227 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.11 87.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.13 110.491 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.441 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 8.4 ttm -62.47 -41.89 99.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 1.17 111.509 -176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.02 -44.17 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.99 109.731 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -66.63 -38.68 87.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.595 -0.73 . . . . 1.54 111.513 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.86 -51.19 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.345 0.593 . . . . 1.12 109.64 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.6 m -63.59 -43.59 96.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.368 -0.833 . . . . 1.05 110.846 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.59 -35.15 78.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 2.66 110.571 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.408 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -70.46 -48.22 56.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.748 -0.66 . . . . 1.06 111.767 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -79.89 -22.6 42.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 2.17 111.375 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.18 47.29 2.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.785 -0.721 . . . . 0.43 112.87 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.612 ' HE1' ' CE2' ' B' ' 60' ' ' PHE . 49.0 p90 -143.74 167.1 23.07 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.898 -0.408 . . . . 2.14 109.898 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -102.67 150.29 23.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 2.33 110.389 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -69.46 -19.7 63.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 4.25 110.947 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.14 -7.7 59.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.001 -0.545 . . . . 3.19 110.471 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.69 9.09 25.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 1.28 111.167 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.41 -35.33 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.53 110.368 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -68.73 -28.57 66.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.976 0.417 . . . . 2.07 110.421 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.09 60.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.555 -0.618 . . . . 0.81 111.555 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.76 -49.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.132 -0.322 . . . . 1.15 110.132 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.411 ' HA ' ' OG ' ' B' ' 72' ' ' SER . 83.8 mt -74.2 5.03 4.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 1.23 111.72 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.67 19.15 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.613 -0.803 . . . . 1.24 111.519 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.84 -14.79 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 3.53 110.873 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.411 ' OG ' ' HA ' ' B' ' 69' ' ' LEU . 60.0 p -72.18 161.77 30.41 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.034 -0.53 . . . . 2.17 111.124 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.34 23.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.202 0.525 . . . . 2.64 110.513 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.526 -0.761 . . . . 2.4 109.099 177.762 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m170 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.554 -0.165 . . . . 2.43 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.444 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 46.6 tp -52.42 -52.6 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 1.15 111.464 -175.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.07 87.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 1.23 111.866 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.54 -36.2 82.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.235 0.54 . . . . 2.3 109.852 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 74.5 mt -60.19 -51.49 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.468 -0.787 . . . . 1.22 110.241 174.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 1.14 111.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.61 -29.02 70.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.069 0.461 . . . . 2.26 110.852 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -84.03 -8.6 59.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.101 -0.499 . . . . 2.01 110.618 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 1.7 110.882 -178.517 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.701 0.286 . . . . 1.65 110.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.11 161.03 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.467 -0.333 . . . . 1.73 110.695 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -57.54 -49.04 77.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.809 0.3 . . . . 2.61 111.809 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.6 -31.98 70.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.454 -0.339 . . . . 1.57 111.148 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.97 -43.25 99.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.288 0.566 . . . . 1.54 110.182 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.69 -48.07 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.364 -0.835 . . . . 1.12 110.57 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.48 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.99 111.103 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.52 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 1.08 110.839 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 79.6 mt -69.48 -35.89 76.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.233 -0.44 . . . . 1.17 110.982 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.39 -50.57 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 1.05 110.937 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.01 -31.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.967 -0.293 . . . . 0.24 110.572 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.51 -44.94 95.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.365 . . . . 1.59 110.574 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 38.4 t80 -60.23 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.15 110.707 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 20.6 m-85 -63.86 -37.43 87.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 2.13 110.796 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -60.42 -45.77 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 1.79 110.135 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.9 t -62.32 -40.2 95.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.229 -0.441 . . . . 1.45 110.288 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 29' ' ' TYR . 50.9 mt -58.02 -50.91 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.08 111.362 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.89 -19.71 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 0.47 111.219 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.37 -56.72 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.205 -0.452 . . . . 2.22 110.892 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 32' ' ' SER . 21.4 ptmt -92.67 3.1 56.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 2.64 111.33 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.51 77.82 0.31 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.314 -0.857 . . . . 3.07 111.314 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 25.4 mm-40 -109.24 1.76 20.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.503 -0.771 . . . . 2.12 109.909 176.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.8 tt -134.15 168.71 23.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.32 -0.854 . . . . 1.11 109.913 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 p -72.39 165.07 25.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.974 0.171 . . . . 2.23 111.192 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -56.72 -47.4 80.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.995 0.426 . . . . 2.19 110.474 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.47 -41.46 93.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.3 111.026 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.24 -36.52 93.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.42 112.211 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.99 74.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 1.15 110.498 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.41 -45.34 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.466 -0.788 . . . . 1.84 111.165 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' B' ' 53' ' ' CYS . 14.6 p -67.86 -34.34 76.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 1.26 110.729 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.71 -29.19 69.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 1.13 111.153 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.98 -57.28 9.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.699 -0.228 . . . . 0.53 111.099 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.53 -33.82 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.123 0.487 . . . . 0.36 110.424 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.036 -0.529 . . . . 1.13 110.663 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.8 ttm -69.14 -36.26 77.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 1.17 110.868 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.96 -41.36 87.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.076 -0.713 . . . . 1.99 109.076 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.07 -52.62 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 1.54 110.977 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.3 mt -52.45 -52.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.16 0.505 . . . . 1.12 110.782 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -61.13 -49.29 77.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 1.05 111.299 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.21 -34.1 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 2.66 111.287 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' B' ' 39' ' ' ILE . . . -64.12 -41.12 97.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.317 -0.401 . . . . 1.06 111.257 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 45.5 m-85 -85.64 -26.61 25.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.334 -0.394 . . . . 2.18 111.106 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.29 38.07 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.788 -0.72 . . . . 0.43 113.159 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 55' ' ' SER . 34.6 p90 -139.95 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.726 -0.472 . . . . 2.14 109.726 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.7 148.75 43.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.948 0.404 . . . . 2.33 110.476 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.24 -21.24 61.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.433 -0.803 . . . . 4.25 112.1 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.4 -18.72 58.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.818 0.342 . . . . 3.2 110.674 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.23 5.79 48.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.444 -0.344 . . . . 1.28 111.627 -176.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.71 -35.79 74.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.601 -0.272 . . . . 0.54 111.624 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t -66.68 -40.45 88.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 2.08 110.125 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.73 -40.11 98.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.094 -0.574 . . . . 0.82 111.692 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.89 -53.82 37.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.331 -0.248 . . . . 1.16 110.331 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.73 -34.18 76.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.384 -0.371 . . . . 1.23 111.674 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.07 84.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.918 -0.658 . . . . 1.25 112.539 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.64 -29.25 20.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.268 0.556 . . . . 3.53 110.354 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -78.82 164.02 24.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.762 -0.653 . . . . 2.16 110.662 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -87.27 38.0 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.132 -0.485 . . . . 2.64 110.679 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 2.4 110.23 -175.623 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.068 -0.715 . . . . 2.43 109.068 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.423 ' O ' HD11 ' A' ' 83' ' ' LEU . 46.8 tp -53.08 -46.45 68.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.198 0.523 . . . . 1.15 110.524 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.86 82.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 1.23 111.936 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -62.72 -41.05 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.545 0.688 . . . . 2.3 109.599 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.82 -48.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.889 -1.051 . . . . 1.23 110.944 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 79' ' ' LEU . 9.6 mp -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.514 . . . . 1.14 111.008 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.71 -25.79 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.294 0.569 . . . . 2.26 110.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -88.4 -10.18 50.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 2.01 110.703 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 1.71 111.312 -176.074 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.695 0.283 . . . . 1.65 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.25 161.06 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 1.73 110.689 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -57.56 -49.12 77.41 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.749 0.277 . . . . 2.61 111.749 -173.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.58 111.095 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.92 -43.27 99.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.295 0.569 . . . . 1.54 110.197 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.54 -48.28 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.42 -0.809 . . . . 1.12 110.527 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.44 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.14 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.63 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 1.08 110.87 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 79.0 mt -69.49 -35.82 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 1.17 110.927 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.48 -50.51 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.925 -0.579 . . . . 1.05 110.938 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.06 -31.13 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.853 -0.339 . . . . 0.23 110.575 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.47 -44.92 95.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.954 0.407 . . . . 1.58 110.572 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.493 ' CZ ' HD12 ' B' ' 33' ' ' ILE . 38.4 t80 -60.26 -51.05 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 2.15 110.691 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 20.8 m-85 -63.73 -37.48 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.697 0.284 . . . . 2.14 110.879 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.3 t -60.44 -45.57 93.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.228 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 23.6 t -62.38 -40.26 95.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 1.45 110.37 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' B' ' 29' ' ' TYR . 51.0 mt -58.08 -50.83 76.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 1.08 111.348 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.85 -19.86 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.813 0.34 . . . . 0.47 111.16 -176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.49 -56.35 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.989 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 32' ' ' SER . 21.4 ptmt -92.74 2.91 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 2.64 111.429 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.56 77.8 0.31 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.267 -0.878 . . . . 3.07 111.372 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 25.6 mm-40 -109.15 1.56 20.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.11 109.885 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.433 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.7 tt -133.99 168.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.215 -0.902 . . . . 1.11 109.925 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 55.1 p -72.3 165.13 25.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.962 0.164 . . . . 2.24 111.035 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.69 -47.49 79.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 2.19 110.496 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.45 -41.5 93.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 2.29 110.96 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.44 93.43 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.801 -0.714 . . . . 0.42 112.188 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.297 0.57 . . . . 1.15 110.518 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.2 -45.42 73.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 1.84 111.228 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -67.95 -34.24 76.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 1.26 110.645 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.84 -29.3 70.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 1.13 111.208 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.77 -57.39 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.596 -0.275 . . . . 0.53 111.221 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.54 -33.48 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.034 0.445 . . . . 0.36 110.494 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.81 92.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 1.13 110.591 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 16.7 ttm -69.25 -36.14 76.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 1.17 110.865 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.86 -41.25 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.207 -0.664 . . . . 1.99 109.207 173.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 46' ' ' SER . 86.2 m -65.34 -52.55 53.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.104 -0.953 . . . . 1.54 111.011 177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 53.9 mt -52.5 -52.81 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.071 0.463 . . . . 1.12 110.605 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -61.14 -49.51 76.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 1.05 111.129 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.0 -34.11 74.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 2.66 111.285 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.75 96.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 1.06 111.204 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 45.7 m-85 -85.82 -26.66 25.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 2.17 111.13 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.16 38.22 3.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.74 -0.743 . . . . 0.43 113.175 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' B' ' 55' ' ' SER . 34.8 p90 -140.08 173.86 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.745 -0.465 . . . . 2.14 109.745 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.71 148.82 43.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.01 0.433 . . . . 2.33 110.403 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.16 -21.37 61.57 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.278 -0.874 . . . . 4.25 112.028 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.44 -18.55 58.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.824 0.345 . . . . 3.19 110.681 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.44 5.85 47.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 1.28 111.588 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.63 -35.92 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.657 0.243 . . . . 0.53 111.657 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -40.32 88.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 2.07 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.72 -39.95 98.02 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.003 -0.618 . . . . 0.81 111.763 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.1 -53.63 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.355 -0.239 . . . . 1.15 110.355 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 1.23 111.689 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.02 -33.08 84.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.949 -0.643 . . . . 1.24 112.53 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.76 -29.35 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.099 0.476 . . . . 3.53 110.276 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -78.61 164.02 25.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.791 -0.641 . . . . 2.17 110.641 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -87.22 37.96 0.79 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 2.64 110.718 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.605 . . . . 2.4 110.286 -175.624 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.4 m80 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.157 -0.682 . . . . 2.43 109.157 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.42 ' O ' HD11 ' B' ' 83' ' ' LEU . 46.6 tp -53.06 -46.57 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.543 . . . . 1.15 110.474 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.8 82.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.629 -0.714 . . . . 1.23 111.868 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.77 -40.86 98.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.526 0.679 . . . . 2.3 109.727 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.93 -48.51 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.864 -1.062 . . . . 1.22 110.911 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.42 HD11 ' O ' ' B' ' 79' ' ' LEU . 9.6 mp -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 1.14 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.83 -25.49 68.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.236 0.541 . . . . 2.26 110.323 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -89.13 -9.62 50.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 2.01 110.625 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.277 -176.26 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.317 -0.623 . . . . 1.65 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -72.06 149.54 44.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.635 -0.711 . . . . 1.73 110.61 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.71 -45.64 49.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.227 0.329 . . . . 2.61 111.532 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.5 -38.58 91.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 1.57 111.629 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.352 0.596 . . . . 1.54 109.96 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.2 -50.26 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.063 -0.971 . . . . 1.12 110.521 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.55 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.752 -0.658 . . . . 0.99 111.5 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.62 88.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.974 -0.557 . . . . 1.08 111.124 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.03 -28.3 54.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.784 0.326 . . . . 1.17 110.852 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.44 ' HA ' HD23 ' A' ' 79' ' ' LEU . 61.7 mt -64.86 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.248 -0.433 . . . . 1.05 111.007 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -27.0 37.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.24 110.649 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.82 -44.44 94.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.59 110.573 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' A' ' 33' ' ' ILE . 42.0 t80 -62.24 -49.86 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 2.15 110.807 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.57 -41.36 85.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 2.13 110.983 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -68.22 -25.73 65.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 1.79 110.44 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 -30.19 44.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.429 -0.35 . . . . 1.45 110.848 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 15.0 mt -68.48 -47.47 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 1.08 110.255 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.95 -25.11 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.47 111.004 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.89 -50.42 73.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 2.22 110.925 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -99.22 5.37 46.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 2.64 111.566 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 56.45 58.85 3.94 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.042 -0.981 . . . . 3.07 111.017 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -100.11 0.13 40.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.927 0.87 . . . . 2.12 109.435 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 14.8 tt -110.37 155.72 11.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.384 -1.28 . . . . 1.11 109.672 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 p -64.42 146.64 54.18 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.477 -0.329 . . . . 2.23 110.637 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.68 -47.95 63.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.809 0.338 . . . . 2.19 111.27 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.82 -49.35 78.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 2.3 110.791 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.88 -34.08 85.93 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.42 112.736 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.47 90.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 1.15 110.815 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.84 -35.48 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 1.84 110.164 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 m -62.39 -36.32 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 1.26 110.481 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 51' ' ' MET . 22.9 mt -73.85 -16.6 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.954 -0.298 . . . . 1.13 111.221 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.71 -47.3 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 0.53 110.652 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.62 -34.81 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.36 109.706 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.91 77.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.691 -0.686 . . . . 1.13 110.862 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 28.0 tpp -56.39 -45.28 80.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.948 -0.569 . . . . 1.17 110.729 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.71 -39.74 94.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 1.99 110.234 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.39 -41.94 96.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 1.54 111.364 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.5 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 64.4 mt -62.38 -50.21 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 1.12 109.83 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 19.8 m -59.28 -42.58 91.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 1.05 110.785 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.25 -39.75 94.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 2.66 111.216 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 1.06 112.029 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 86.0 m-85 -102.96 -15.76 16.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 2.18 111.619 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 34.44 9.25 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.863 -0.684 . . . . 0.43 113.538 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.662 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 39.6 p90 -132.06 172.7 12.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.017 0.409 . . . . 2.14 110.17 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -108.65 154.14 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.666 -0.494 . . . . 2.33 109.666 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.56 -43.38 89.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.107 -0.237 . . . . 4.25 110.915 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.74 9.26 1.52 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.936 0.347 . . . . 3.2 111.936 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.42 -2.44 14.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.66 -0.245 . . . . 1.28 111.265 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.04 -33.0 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.794 0.331 . . . . 0.54 110.689 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 t -58.11 -45.39 87.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 2.08 110.25 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.67 95.53 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.041 -0.599 . . . . 0.82 112.163 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.84 -48.55 87.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.696 0.284 . . . . 1.16 110.599 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.09 -41.54 98.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 1.23 111.205 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.5 77.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.644 -0.789 . . . . 1.25 112.408 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.86 21.54 17.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.757 0.313 . . . . 3.53 111.503 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.6 p -99.8 158.67 15.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.846 0.355 . . . . 2.16 110.313 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.64 20.73 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.739 0.781 . . . . 2.64 109.439 172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' B' ' 83' ' ' LEU . 6.0 m-30 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 114.361 -1.29 . . . . 2.4 109.658 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.353 0.597 . . . . 2.43 110.121 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 26' ' ' ILE . 36.0 tp -59.76 -42.4 93.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.714 -1.13 . . . . 1.15 112.218 -174.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 1.23 111.698 -175.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.85 -37.01 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.444 0.64 . . . . 2.3 109.952 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.21 -57.19 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.141 -0.936 . . . . 1.23 111.321 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.636 ' HB3' ' CE2' ' B' ' 74' ' ' PHE . 10.8 mp -61.4 -28.81 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 1.14 111.304 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.5 -47.51 81.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.26 110.442 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.0 t -84.53 -9.61 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 2.01 111.108 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 121.102 0.477 . . . . 1.71 111.889 -175.5 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 109.247 -0.649 . . . . 1.65 109.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -71.94 149.7 44.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.645 -0.707 . . . . 1.73 110.649 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.9 -45.64 51.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.172 0.295 . . . . 2.61 111.425 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.45 -38.51 91.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.58 111.651 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.04 -43.21 96.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.614 0.721 . . . . 1.54 109.937 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.94 -50.29 78.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.964 -1.016 . . . . 1.12 110.473 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.46 70.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.472 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.87 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.547 . . . . 1.08 110.999 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.46 -28.48 56.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.712 -0.395 . . . . 1.17 111.066 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.434 ' HA ' HD23 ' B' ' 79' ' ' LEU . 62.2 mt -64.73 -51.53 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 1.05 110.983 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -26.95 36.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.808 0.337 . . . . 0.23 110.635 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.79 -44.38 93.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.57 . . . . 1.58 110.544 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' B' ' 33' ' ' ILE . 41.9 t80 -62.35 -49.76 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 2.15 110.852 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.55 -41.34 85.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 2.14 110.99 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -68.41 -25.56 65.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 1.79 110.496 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.71 -30.48 46.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.817 0.341 . . . . 1.45 110.782 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 15.4 mt -68.4 -47.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.847 0.355 . . . . 1.08 110.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.09 -25.05 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.894 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.99 -50.5 73.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 2.22 110.876 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.23 5.67 46.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 2.64 111.63 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 56.15 58.93 3.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.098 -0.955 . . . . 3.07 111.044 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -100.43 0.41 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.831 0.824 . . . . 2.11 109.423 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 14.8 tt -110.59 155.5 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.409 -1.269 . . . . 1.11 109.734 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.4 p -64.2 146.56 54.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.439 -0.346 . . . . 2.24 110.694 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.74 -47.78 63.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.982 0.42 . . . . 2.19 111.336 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.03 -49.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.765 -0.652 . . . . 2.29 110.734 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.1 -33.93 86.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 0.42 112.763 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.76 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 1.15 110.76 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.78 -35.3 74.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.182 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.6 m -62.38 -36.36 82.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 1.26 110.504 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' B' ' 51' ' ' MET . 23.5 mt -73.82 -16.69 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.002 -0.279 . . . . 1.13 111.211 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.55 -47.38 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.53 110.717 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.59 -34.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.476 . . . . 0.36 109.755 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.87 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.682 -0.69 . . . . 1.13 110.9 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' B' ' 47' ' ' LEU . 28.0 tpp -56.43 -45.29 80.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.96 -0.564 . . . . 1.17 110.719 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.58 -39.88 94.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 1.99 110.287 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.3 -41.97 96.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 1.54 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.499 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 63.9 mt -62.24 -50.31 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.118 0.485 . . . . 1.12 109.84 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.505 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 19.9 m -59.32 -42.59 91.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.626 -0.716 . . . . 1.05 110.762 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.659 . . . . 2.66 111.174 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.46 75.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 1.06 111.965 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 86.7 m-85 -102.96 -15.96 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.648 0.261 . . . . 2.17 111.472 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.86 34.64 8.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.937 -0.649 . . . . 0.43 113.388 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 39.2 p90 -132.29 172.68 12.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.08 0.44 . . . . 2.14 110.125 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -108.61 154.09 22.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.702 -0.481 . . . . 2.33 109.702 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -58.65 -43.24 89.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.583 0.23 . . . . 4.25 110.843 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -73.88 9.24 1.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.826 0.306 . . . . 3.19 111.826 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.66 -2.31 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.672 -0.24 . . . . 1.28 111.251 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.06 -33.01 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.706 0.289 . . . . 0.53 110.742 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 43.8 t -58.08 -45.38 87.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 2.07 110.247 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.22 -43.44 95.36 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.882 -0.599 . . . . 0.81 112.152 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -48.52 87.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-O 120.609 0.242 . . . . 1.15 110.493 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.02 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 1.23 111.22 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.01 -30.73 78.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.712 -0.756 . . . . 1.24 112.346 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.59 21.37 17.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.348 . . . . 3.53 111.562 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 91.0 p -99.67 158.66 15.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.835 0.35 . . . . 2.17 110.343 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -92.56 20.92 5.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.692 0.758 . . . . 2.64 109.51 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 m-30 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 114.424 -1.262 . . . . 2.4 109.666 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.312 0.577 . . . . 2.43 110.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 26' ' ' ILE . 35.6 tp -59.84 -42.35 93.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.811 -1.086 . . . . 1.15 112.218 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.3 95.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.399 -0.364 . . . . 1.23 111.644 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.77 -37.16 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 2.3 110.033 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.07 -57.09 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.969 -1.014 . . . . 1.22 111.331 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.641 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.8 mp -61.44 -28.92 69.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 1.14 111.273 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.49 -47.7 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 2.26 110.386 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -84.79 -8.49 58.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 2.01 111.184 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 1.7 111.84 -175.655 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 121.065 0.46 . . . . 1.65 111.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -75.84 178.01 6.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.041 -0.527 . . . . 1.73 110.202 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.88 -46.02 78.4 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.769 0.285 . . . . 2.61 111.769 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.95 -36.04 81.32 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.765 0.317 . . . . 1.57 110.956 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.27 -42.64 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.211 0.529 . . . . 1.54 110.583 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.9 -46.0 79.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.54 -0.754 . . . . 1.12 110.504 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.51 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.99 110.998 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.51 80.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 1.08 110.774 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 28' ' ' ASN . 23.0 mt -70.42 -32.22 69.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.584 -0.28 . . . . 1.17 111.306 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.7 -50.95 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.472 -0.331 . . . . 1.05 110.876 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.47 -25.72 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.24 110.431 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t-20 -62.69 -36.24 82.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 1.59 110.717 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CE2' HD12 ' A' ' 33' ' ' ILE . 49.1 t80 -72.73 -46.77 51.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 2.15 110.836 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.9 -40.02 94.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 2.13 111.384 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 p -63.61 -32.33 73.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.895 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 m -66.62 -42.64 86.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.894 0.378 . . . . 1.45 110.436 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 29' ' ' TYR . 54.9 mt -58.27 -49.78 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.821 -0.627 . . . . 1.08 111.149 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.14 -28.73 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.367 -0.379 . . . . 0.47 111.384 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.59 -48.41 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.636 0.255 . . . . 2.22 111.087 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -90.34 2.93 55.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 2.64 111.319 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp 57.19 54.94 6.32 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.483 -0.78 . . . . 3.07 110.588 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.83 -19.28 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.854 0.835 . . . . 2.12 108.968 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.504 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.0 tt -111.79 160.48 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.676 -1.147 . . . . 1.11 109.977 -177.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -78.39 170.11 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.697 -0.229 . . . . 2.23 111.245 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.79 -53.03 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.66 0.615 . . . . 2.19 112.66 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.86 -44.07 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 2.3 110.79 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.73 97.83 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.755 -0.657 . . . . 0.42 112.526 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.46 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 1.15 110.634 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.12 -37.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 1.84 110.538 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 t -61.97 -45.11 95.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.648 -0.706 . . . . 1.26 110.034 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HE1' ' A' ' 51' ' ' MET . 81.8 mt -61.83 -22.08 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.309 . . . . 1.13 111.205 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.69 -43.61 65.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.692 -0.231 . . . . 0.53 111.005 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.48 -31.13 45.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.448 -0.575 . . . . 0.36 109.448 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB3' ' SG ' ' B' ' 53' ' ' CYS . . . -66.69 -34.73 78.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 1.13 110.431 174.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.403 ' HE1' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.17 -53.46 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.17 109.886 179.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.51 -38.94 91.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 1.99 110.51 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' B' ' 50' ' ' ALA . 10.7 t -55.3 -57.12 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.68 -0.691 . . . . 1.54 111.181 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.83 -37.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.12 110.534 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 1.05 110.622 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.88 -47.6 71.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 2.66 111.0 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 1.06 112.229 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 62.9 m-85 -93.93 -19.29 21.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.036 0.384 . . . . 2.18 112.036 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 47.96 4.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.783 -0.722 . . . . 0.43 113.193 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' A' ' 60' ' ' PHE . 40.4 p90 -142.76 170.43 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.148 -0.316 . . . . 2.14 110.148 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -107.78 153.77 22.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.255 -0.43 . . . . 2.33 110.388 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -64.64 -20.31 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 4.25 111.179 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.06 -11.06 53.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.365 0.603 . . . . 3.2 110.472 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.56 48.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 1.28 111.325 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 6.0 p -60.38 -44.12 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.66 -0.245 . . . . 0.54 111.003 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.0 m -65.39 -32.63 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 2.08 110.687 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.03 -44.01 79.48 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.92 -0.657 . . . . 0.82 111.77 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.89 -39.75 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.961 0.41 . . . . 1.16 110.556 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 97.5 mt -66.37 -38.5 87.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 1.23 110.508 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.49 -31.2 78.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 1.25 111.853 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.11 -39.32 75.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.205 0.526 . . . . 3.53 110.613 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 p -88.04 -166.98 1.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.863 -0.608 . . . . 2.16 111.393 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.98 -19.87 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.505 0.669 . . . . 2.64 109.88 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.36 -0.837 . . . . 2.4 110.907 -170.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 108.391 -0.966 . . . . 2.43 108.391 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.4 tp -46.62 -54.68 9.01 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.802 0.667 . . . . 1.15 112.802 -170.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.85 78.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.389 -0.368 . . . . 1.23 111.966 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.93 -36.23 83.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.389 0.614 . . . . 2.3 110.154 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.74 -49.06 83.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.206 -0.906 . . . . 1.23 110.485 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.15 -36.07 83.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 1.14 111.052 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.49 -34.52 74.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.07 -0.514 . . . . 2.26 110.692 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.0 m -83.08 -9.91 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.844 -0.616 . . . . 2.01 111.098 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.446 . . . . 1.71 111.004 -177.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 121.113 0.482 . . . . 1.65 111.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.85 177.75 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.114 -0.494 . . . . 1.73 110.224 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.68 -45.94 77.69 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.862 0.319 . . . . 2.61 111.862 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -36.06 81.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.341 . . . . 1.58 111.034 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.02 -42.88 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 1.54 110.66 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.84 -45.96 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.405 -0.816 . . . . 1.12 110.419 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.56 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.004 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 1.08 110.809 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HA ' ' HB3' ' B' ' 28' ' ' ASN . 23.4 mt -70.19 -32.41 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.474 -0.33 . . . . 1.17 111.36 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.53 -51.11 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 1.05 110.894 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.32 -25.82 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.23 110.501 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.8 t-20 -62.53 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.829 -0.623 . . . . 1.58 110.685 175.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' B' ' 33' ' ' ILE . 49.2 t80 -72.53 -46.87 52.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 2.15 110.809 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 2.14 111.426 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -63.63 -32.35 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 1.79 111.021 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -66.52 -42.47 87.25 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 1.45 110.688 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.52 HD12 ' CE2' ' B' ' 29' ' ' TYR . 55.1 mt -58.48 -49.77 81.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.763 -0.653 . . . . 1.08 111.117 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -73.98 -28.93 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.375 -0.375 . . . . 0.47 111.3 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.47 -48.27 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 2.22 111.103 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.48 2.96 55.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.836 0.351 . . . . 2.64 111.239 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp 57.19 54.79 6.47 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.558 -0.746 . . . . 3.07 110.65 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.72 -19.27 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.836 0.827 . . . . 2.11 108.98 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.506 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.0 tt -112.04 160.07 11.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.604 -1.18 . . . . 1.11 110.008 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -78.01 170.36 16.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.826 -0.17 . . . . 2.24 111.245 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -52.02 -52.96 47.34 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.545 0.572 . . . . 2.19 112.545 -174.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -60.71 -44.2 96.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 2.29 110.816 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.8 97.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.42 112.34 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.42 85.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 1.15 110.536 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.03 -37.64 88.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.919 -0.582 . . . . 1.84 110.569 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -62.05 -45.19 94.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.619 -0.719 . . . . 1.26 110.01 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.69 -22.27 65.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 1.13 111.311 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.61 -43.55 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.607 -0.27 . . . . 0.53 111.093 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.4 -31.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.575 -0.528 . . . . 0.36 109.575 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.681 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -66.66 -34.67 78.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.814 -0.63 . . . . 1.13 110.474 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.3 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 1.17 109.921 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.52 -39.1 92.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.516 -0.765 . . . . 1.99 110.545 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 50' ' ' ALA . 10.7 t -55.2 -57.18 12.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.747 -0.66 . . . . 1.54 111.225 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.74 -37.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 1.12 110.535 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.4 m -60.3 -49.22 78.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.05 110.592 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.85 -47.66 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 2.66 111.03 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.2 98.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 1.06 112.17 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.665 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 63.5 m-85 -93.73 -19.32 21.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.021 0.378 . . . . 2.17 112.021 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.4 47.87 5.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.845 -0.693 . . . . 0.43 113.201 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' B' ' 60' ' ' PHE . 40.3 p90 -142.53 170.55 15.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.042 -0.355 . . . . 2.14 110.042 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.02 153.7 22.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 2.33 110.451 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -64.64 -20.29 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 4.25 111.107 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -86.23 -11.03 53.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.369 0.604 . . . . 3.19 110.251 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.46 48.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.125 -0.489 . . . . 1.28 111.299 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -60.51 -44.21 95.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.662 -0.244 . . . . 0.53 110.945 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 59.9 m -65.19 -32.8 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 2.07 110.592 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.86 -44.07 80.94 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.905 -0.664 . . . . 0.81 111.826 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.9 -39.74 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.15 110.585 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 97.5 mt -66.38 -38.52 87.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.23 110.492 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.45 -31.19 78.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 1.24 111.887 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.01 -39.45 75.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 3.53 110.583 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -87.97 -167.14 1.78 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.17 111.377 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.81 -19.82 57.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.541 0.686 . . . . 2.64 109.91 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.362 -0.835 . . . . 2.4 110.942 -170.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 108.376 -0.972 . . . . 2.43 108.376 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 59.6 tp -46.72 -54.65 9.24 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.832 0.678 . . . . 1.15 112.832 -170.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.98 78.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 1.23 111.96 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.81 -36.23 83.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 2.3 110.106 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.79 -49.09 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.178 -0.919 . . . . 1.22 110.426 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.14 -36.12 83.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 1.14 110.958 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.47 -34.44 74.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.127 0.489 . . . . 2.26 110.604 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.2 m -83.26 -9.5 59.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 2.01 111.113 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.106 0.479 . . . . 1.7 110.921 -177.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.788 0.327 . . . . 1.65 110.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -76.41 158.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.73 110.281 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.7 -54.01 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 2.61 111.164 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.15 -36.83 80.84 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.916 -0.584 . . . . 1.57 111.662 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.06 -42.73 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.039 0.447 . . . . 1.54 111.009 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.28 -48.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.748 -0.66 . . . . 1.12 110.229 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.41 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.99 110.657 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.98 76.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.717 -0.674 . . . . 1.08 111.096 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD12 ' CG ' ' A' ' 74' ' ' PHE . 88.1 mt -66.55 -39.67 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.17 -0.468 . . . . 1.17 110.988 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.61 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 1.05 111.321 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.38 -35.61 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.948 -0.301 . . . . 0.24 110.97 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.72 -31.44 68.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 1.59 110.369 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.616 ' HE1' ' CE2' ' A' ' 29' ' ' TYR . 34.5 t80 -66.29 -52.1 50.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.05 -0.352 . . . . 2.15 110.05 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -59.49 -38.17 80.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.916 0.388 . . . . 2.13 110.569 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -63.61 -42.26 98.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.598 . . . . 1.79 110.782 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 p -75.94 -20.93 57.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.679 0.276 . . . . 1.45 111.124 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.634 HD12 ' CE2' ' A' ' 29' ' ' TYR . 55.1 mt -65.83 -54.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.052 0.453 . . . . 1.08 110.138 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 m -71.88 -20.72 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.919 -0.582 . . . . 0.47 110.881 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.815 -0.63 . . . . 2.22 111.037 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.63 16.7 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 2.64 111.684 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 55.4 68.38 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.223 -0.899 . . . . 3.07 111.39 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -106.34 5.66 29.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.649 -0.705 . . . . 2.12 109.99 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 14.8 tt -137.3 159.81 35.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.073 -0.967 . . . . 1.11 110.047 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -66.6 152.79 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.394 . . . . 2.23 110.842 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -51.43 -47.83 62.88 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.737 0.303 . . . . 2.19 111.404 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.36 -46.7 83.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 2.3 110.725 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -66.41 -35.14 89.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.42 112.521 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.33 90.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.206 0.527 . . . . 1.15 110.219 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.15 -42.61 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.818 . . . . 1.84 110.463 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -60.64 -38.72 85.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 1.26 110.82 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.11 -27.47 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 1.13 111.557 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -54.22 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.061 -0.256 . . . . 0.53 111.158 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.94 -35.9 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.967 0.413 . . . . 0.36 110.286 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.127 -0.488 . . . . 1.13 110.736 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.411 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 12.9 ttm -63.7 -40.39 96.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.515 . . . . 1.17 111.529 -175.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.13 -38.19 87.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.629 -0.508 . . . . 1.99 109.629 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.1 m -72.06 -34.81 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.503 -0.771 . . . . 1.54 111.197 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.67 -48.46 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 109.426 -0.583 . . . . 1.12 109.426 174.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.671 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.2 m -61.97 -44.84 95.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.345 -0.843 . . . . 1.05 110.47 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.51 -37.19 82.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.579 -0.737 . . . . 2.66 110.816 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -66.75 -51.57 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.06 112.059 -176.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.663 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 55.5 m-85 -85.51 -6.67 59.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.775 0.321 . . . . 2.18 111.671 -176.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.14 42.38 19.47 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.996 -0.621 . . . . 0.43 112.898 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.626 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 4.4 p90 -139.29 -177.68 5.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.59 -0.522 . . . . 2.14 109.59 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.82 151.53 37.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.91 0.386 . . . . 2.33 110.84 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.93 -23.17 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.549 -0.751 . . . . 4.25 110.347 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.44 -14.47 40.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 3.2 110.626 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.79 57.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 1.28 111.111 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.09 -33.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.54 110.841 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -64.94 -37.62 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 2.08 110.868 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -39.9 72.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.847 -0.692 . . . . 0.82 111.844 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.17 -52.17 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.16 110.527 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.73 -13.88 61.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 1.23 111.325 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.83 -30.68 72.51 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.696 -0.764 . . . . 1.25 111.857 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.93 -34.29 10.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 3.53 110.524 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -63.69 140.97 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.16 111.543 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.3 4.16 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 2.64 111.01 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 25' ' ' LEU . 40.3 m-85 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.889 -0.596 . . . . 2.4 109.882 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.772 -0.455 . . . . 2.43 109.772 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.1 tp -55.42 -49.26 72.88 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.9 0.333 . . . . 1.15 111.9 -175.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.73 76.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.06 0.393 . . . . 1.23 112.06 -174.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.77 -39.2 93.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.421 0.629 . . . . 2.3 109.949 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 92.2 mt -60.09 -49.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.062 -0.972 . . . . 1.23 110.521 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.04 -35.09 79.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.71 -0.677 . . . . 1.14 110.77 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.88 -36.33 74.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.179 0.514 . . . . 2.26 110.204 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -78.52 -10.22 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 2.01 111.054 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.055 0.455 . . . . 1.71 110.93 -178.538 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 120.751 0.31 . . . . 1.65 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -76.62 158.5 31.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.207 -0.452 . . . . 1.73 110.379 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.49 -54.04 37.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 2.61 111.123 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.17 -36.79 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 1.58 111.705 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 -42.72 84.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 1.54 111.01 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.21 -48.15 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.635 . . . . 1.12 110.244 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.31 76.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.688 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.0 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.684 . . . . 1.08 111.031 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.51 HD12 ' CG ' ' B' ' 74' ' ' PHE . 88.6 mt -66.54 -39.64 88.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.126 -0.488 . . . . 1.17 111.068 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.54 -50.99 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 1.05 111.374 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.32 -35.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.955 -0.298 . . . . 0.23 110.96 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -70.84 -31.41 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.751 0.31 . . . . 1.58 110.288 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.613 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 34.7 t80 -66.17 -52.26 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.016 -0.364 . . . . 2.15 110.016 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -59.37 -38.2 79.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.954 0.407 . . . . 2.14 110.642 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -63.49 -42.41 98.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 1.79 110.832 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.7 p -75.89 -20.85 57.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.667 0.27 . . . . 1.45 111.148 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.637 HD12 ' CE2' ' B' ' 29' ' ' TYR . 55.0 mt -65.67 -54.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 1.08 110.221 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.5 m -71.85 -20.69 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.47 110.935 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.41 -49.21 74.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.73 -0.668 . . . . 2.22 111.019 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.57 16.43 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 2.64 111.631 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 55.5 68.46 0.86 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.247 -0.888 . . . . 3.07 111.355 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.42 5.58 29.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 2.11 109.883 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.443 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 14.9 tt -137.32 159.59 35.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.161 -0.927 . . . . 1.11 109.987 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -66.35 152.86 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.371 . . . . 2.24 110.779 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.38 -47.91 62.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.746 0.308 . . . . 2.19 111.406 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.3 -46.89 82.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.895 -0.593 . . . . 2.29 110.685 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -66.26 -35.25 90.07 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.784 -0.643 . . . . 0.42 112.576 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.5 90.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.31 0.576 . . . . 1.15 110.257 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.05 -42.87 84.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.31 -0.859 . . . . 1.84 110.383 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.7 m -60.5 -38.67 85.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 1.26 110.835 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.1 -27.69 69.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.395 -0.366 . . . . 1.13 111.541 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -54.33 22.93 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.029 -0.268 . . . . 0.53 111.227 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.98 -35.9 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.922 0.391 . . . . 0.36 110.248 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.13 110.641 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 13.0 ttm -63.71 -40.27 96.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 1.17 111.562 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.3 -38.02 87.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -72.08 -34.8 68.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.561 -0.745 . . . . 1.54 111.196 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.63 -48.46 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.44 -0.578 . . . . 1.12 109.44 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.663 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.1 m -62.06 -44.67 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.351 -0.841 . . . . 1.05 110.53 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.54 -37.24 83.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.523 -0.762 . . . . 2.66 110.813 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -66.81 -51.53 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.869 -0.605 . . . . 1.06 112.006 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.669 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 55.4 m-85 -85.24 -7.28 59.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.843 0.354 . . . . 2.17 111.534 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.63 42.18 18.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.015 -0.612 . . . . 0.43 112.815 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 60' ' ' PHE . 4.4 p90 -139.22 -177.86 5.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 2.14 109.601 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.66 151.31 38.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.867 0.365 . . . . 2.33 110.738 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.68 -23.52 67.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.582 -0.735 . . . . 4.25 110.386 177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.82 -14.83 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.156 -0.474 . . . . 3.19 110.733 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.77 -3.79 57.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.28 111.037 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.12 -33.73 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.53 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -65.03 -37.41 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 2.07 110.979 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.19 -39.88 71.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.919 -0.658 . . . . 0.81 111.867 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.18 -52.51 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.889 0.376 . . . . 1.15 110.412 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.38 -13.97 61.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.23 111.43 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.63 -30.95 72.95 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.72 -0.752 . . . . 1.24 111.733 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.94 -34.18 10.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.949 0.404 . . . . 3.53 110.472 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -63.73 140.98 58.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.17 111.509 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -76.28 4.22 9.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 2.64 111.06 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.51 ' CG ' HD12 ' B' ' 25' ' ' LEU . 40.3 m-85 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.83 -0.623 . . . . 2.4 109.875 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.819 -0.438 . . . . 2.43 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 57.1 tp -55.19 -49.23 72.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.782 0.325 . . . . 1.15 111.797 -175.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 1.23 112.082 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.84 -39.26 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.384 0.612 . . . . 2.3 109.946 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 92.0 mt -59.99 -49.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.072 -0.967 . . . . 1.22 110.525 175.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.88 -34.92 78.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 1.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.05 -36.22 74.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 2.26 110.27 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -78.99 -9.52 59.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 2.01 110.915 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 1.7 110.978 -178.704 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 N-CA-C 112.024 0.379 . . . . 1.65 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.84 166.34 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.73 109.671 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -51.07 -50.19 59.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.726 0.269 . . . . 2.61 111.726 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.48 -36.35 82.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.57 111.609 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.84 -41.09 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 1.54 110.466 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.3 -50.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 1.12 110.758 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -32.58 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.99 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.85 86.88 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.08 110.777 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 mt -69.8 -35.24 74.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.515 -0.311 . . . . 1.17 110.986 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.56 -53.74 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.186 -0.461 . . . . 1.05 111.149 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.83 -31.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.24 110.643 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.99 -41.3 91.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 1.59 110.346 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -60.37 -48.31 82.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.529 . . . . 2.15 110.463 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 2.13 110.483 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 49.6 m -63.84 -35.81 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 1.79 110.62 177.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 39.0 t -63.12 -41.81 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.45 110.717 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 37.8 mt -63.85 -44.18 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 1.08 111.002 -177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.92 -21.13 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.47 111.009 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 31' ' ' SER . 11.6 tp10 -69.47 -44.94 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.316 -0.402 . . . . 2.22 110.317 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 32' ' ' SER . 60.3 pttt -86.94 1.94 50.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.399 0.619 . . . . 2.64 110.725 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttm 54.49 52.35 12.51 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.479 -1.237 . . . . 3.07 111.66 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.54 -35.31 12.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.301 -0.629 . . . . 2.12 109.301 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -83.8 151.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 1.11 110.399 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -76.45 163.26 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 2.23 111.397 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -50.71 58.21 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.606 0.595 . . . . 2.19 112.606 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.88 -41.32 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 2.3 110.767 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.74 95.57 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.854 -0.689 . . . . 0.42 111.96 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.1 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.747 0.308 . . . . 1.15 110.868 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.61 -39.04 93.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 1.84 110.713 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -61.64 -40.38 94.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.956 -0.565 . . . . 1.26 110.465 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.8 -31.46 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.13 111.227 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -63.68 -58.5 6.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.292 . . . . 0.53 110.724 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.43 -35.38 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.924 0.392 . . . . 0.36 110.568 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.26 96.87 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.138 -0.483 . . . . 1.13 110.584 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.442 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 8.0 ttm -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.03 -0.532 . . . . 1.17 111.545 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.86 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.109 0.481 . . . . 1.99 110.176 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.2 m -70.84 -45.26 64.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 1.54 110.858 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 65.5 mt -57.02 -53.51 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.207 0.527 . . . . 1.12 110.278 177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -59.44 -48.26 82.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.399 -0.819 . . . . 1.05 111.191 -176.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -69.79 -29.26 66.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 2.66 111.069 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.99 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 1.06 111.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 44.5 m-85 -87.52 -28.77 21.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.426 . . . . 2.18 111.256 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.67 39.52 2.19 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.541 -0.837 . . . . 0.43 113.024 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.608 ' HE1' ' CE2' ' A' ' 60' ' ' PHE . 46.5 p90 -140.41 165.95 26.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.741 -0.466 . . . . 2.14 109.741 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.73 151.09 21.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.653 -0.249 . . . . 2.33 110.706 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -57.35 -44.79 84.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.391 0.615 . . . . 4.25 109.787 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -75.8 4.38 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.478 -0.783 . . . . 3.2 111.259 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.33 -1.58 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.602 -0.272 . . . . 1.28 111.605 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.0 -33.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 0.54 110.97 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.58 -40.21 93.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.232 -0.44 . . . . 2.08 110.824 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.88 -38.13 84.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.952 -0.642 . . . . 0.82 112.0 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.61 -52.33 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.337 . . . . 1.16 110.458 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.0 -34.16 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.585 . . . . 1.23 111.272 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.32 -34.55 88.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.951 -0.642 . . . . 1.25 112.32 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.09 -46.5 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 3.53 110.431 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.6 t -63.63 167.23 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.634 . . . . 2.16 110.912 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.38 12.49 10.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 2.64 110.981 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 121.292 0.568 . . . . 2.4 110.456 177.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.256 -0.275 . . . . 2.43 110.256 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.2 -55.52 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 1.15 111.478 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.3 88.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 1.23 111.687 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.46 -41.34 97.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 2.3 110.412 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 mt -58.55 -50.75 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.763 . . . . 1.23 111.151 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.98 -38.78 89.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 1.14 111.011 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.68 -40.09 92.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.234 -0.439 . . . . 2.26 110.804 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -70.51 -38.31 74.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 2.01 110.775 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.304 -0.407 . . . . 1.71 111.567 -176.389 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.951 0.405 . . . . 1.65 112.054 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.91 166.23 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 1.73 109.65 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -50.94 -50.26 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.692 0.256 . . . . 2.61 111.692 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.57 -36.17 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.58 111.612 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.99 -41.03 74.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.261 0.553 . . . . 1.54 110.558 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.31 -50.86 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.446 -0.797 . . . . 1.12 110.713 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.64 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.92 86.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.785 -0.643 . . . . 1.08 110.687 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 mt -69.68 -35.17 74.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 1.17 111.023 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.62 -53.76 44.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.156 -0.474 . . . . 1.05 111.065 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.8 -31.74 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.23 110.609 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.05 -41.07 91.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.363 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -60.58 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 2.15 110.615 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.42 -38.76 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 2.14 110.486 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 50.3 m -63.86 -35.72 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 1.79 110.553 177.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 39.7 t -63.12 -42.03 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 1.45 110.734 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 37.5 mt -63.69 -44.13 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.08 111.076 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.08 -20.95 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.05 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 31' ' ' SER . 11.5 tp10 -69.51 -44.78 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.089 0.471 . . . . 2.22 110.352 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 32' ' ' SER . 60.2 pttt -87.14 1.88 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.264 0.554 . . . . 2.64 110.693 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 54.62 52.33 12.42 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.479 -1.237 . . . . 3.07 111.583 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -94.48 -35.22 12.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.352 -0.61 . . . . 2.11 109.352 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.417 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -83.85 151.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.729 . . . . 1.11 110.221 -177.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -76.43 163.18 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.253 -0.431 . . . . 2.24 111.335 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.11 -50.82 58.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.48 0.548 . . . . 2.19 112.48 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -60.63 -41.33 94.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 2.29 110.77 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.68 95.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.78 -0.724 . . . . 0.42 112.051 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.19 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.278 . . . . 1.15 110.75 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.54 -39.18 93.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.43 . . . . 1.84 110.687 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -61.56 -40.36 94.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.613 . . . . 1.26 110.452 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.83 -31.3 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 1.13 111.237 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.64 -58.53 6.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 0.53 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -35.37 69.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.93 0.395 . . . . 0.36 110.565 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.21 96.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.13 110.63 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.443 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 8.0 ttm -64.6 -42.43 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.121 -0.49 . . . . 1.17 111.587 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -35.96 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.176 0.512 . . . . 1.99 110.23 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.88 -45.44 64.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.703 -0.68 . . . . 1.54 110.882 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.427 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 65.3 mt -57.01 -53.62 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.186 0.517 . . . . 1.12 110.218 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -59.32 -48.24 82.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.416 -0.811 . . . . 1.05 111.194 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.03 -28.99 65.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 2.66 111.089 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.68 83.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.92 0.391 . . . . 1.06 111.264 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 44.4 m-85 -87.49 -29.26 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 2.17 111.299 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.13 39.13 2.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.599 -0.81 . . . . 0.43 113.018 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.596 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 46.6 p90 -140.01 166.1 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.705 -0.48 . . . . 2.14 109.705 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.79 151.24 21.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.674 -0.239 . . . . 2.33 110.828 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.345 0.593 . . . . 4.25 109.871 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -75.82 4.53 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.484 -0.78 . . . . 3.19 111.207 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.39 -1.63 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.556 -0.293 . . . . 1.28 111.49 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.86 -33.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.53 111.02 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.64 -40.01 93.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.211 -0.45 . . . . 2.07 110.925 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.17 -37.9 82.15 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.977 -0.63 . . . . 0.81 112.031 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.73 -52.38 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 1.15 110.472 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.85 -34.04 77.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 1.23 111.352 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.58 -34.31 87.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.946 -0.645 . . . . 1.24 112.329 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.23 -46.54 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 3.53 110.421 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -63.64 167.27 5.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 2.17 110.853 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.25 12.33 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.915 -0.584 . . . . 2.64 111.002 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 2.4 110.437 178.037 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 34.7 m170 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 110.204 -0.295 . . . . 2.43 110.204 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.01 -55.69 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.794 0.33 . . . . 1.15 111.461 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.07 87.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.566 . . . . 1.23 111.848 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.68 -41.32 97.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.126 -0.488 . . . . 2.3 110.415 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 32.5 mt -58.36 -50.89 77.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.518 -0.765 . . . . 1.22 111.127 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.92 -38.61 89.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 1.14 111.033 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -65.92 -39.87 90.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.169 -0.469 . . . . 2.26 110.727 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -70.61 -38.39 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.008 -0.542 . . . . 2.01 110.697 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.559 -176.311 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB1' ' ND2' ' B' ' 84' ' ' ASN . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.285 0.564 . . . . 1.65 110.536 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -72.77 162.64 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.681 -0.69 . . . . 1.73 110.342 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -53.6 -46.62 70.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 2.61 110.045 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 8.7 pt-20 -54.52 -45.1 73.27 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.401 -0.818 . . . . 1.57 111.731 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 55.5 mt-10 -70.09 -44.46 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.54 111.049 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.25 -49.8 79.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.979 -0.555 . . . . 1.12 110.448 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.29 86.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.99 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.48 88.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 1.08 110.905 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.85 -39.06 87.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.258 -0.428 . . . . 1.17 110.691 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -63.03 -51.38 72.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 1.05 111.294 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.461 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 32.1 m -67.93 -35.89 73.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.24 111.08 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -69.05 -32.45 71.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 1.59 109.988 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.47 -52.27 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 2.15 110.388 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 16.3 m-85 -60.31 -40.93 92.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 2.13 110.905 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -64.5 -34.5 78.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.127 -0.488 . . . . 1.79 110.5 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.61 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 8.6 t -72.7 -24.76 61.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.599 -0.273 . . . . 1.45 110.414 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 59.4 mt -64.52 -52.58 53.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.716 0.294 . . . . 1.08 110.564 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.47 -29.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.47 110.088 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 32' ' ' SER . 31.7 tt0 -54.53 -54.92 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.189 -0.914 . . . . 2.22 111.224 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -95.86 18.28 13.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 2.64 111.584 -176.499 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 54.46 51.57 13.9 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.201 -0.908 . . . . 3.07 111.525 174.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -99.79 -2.33 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.219 0.533 . . . . 2.12 110.542 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.3 tt -133.17 151.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.497 -0.774 . . . . 1.11 110.037 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.58 176.34 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.514 -0.312 . . . . 2.23 110.781 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -52.66 -50.06 63.97 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.631 0.582 . . . . 2.19 112.433 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.72 -48.48 77.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 2.3 111.138 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.73 -35.94 74.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.725 -0.75 . . . . 0.42 112.392 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.36 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.619 0.247 . . . . 1.15 111.151 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -66.22 -31.13 71.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 1.84 110.726 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.207 0.527 . . . . 1.26 109.881 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.3 mt -71.21 -23.13 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 1.13 111.183 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -70.17 -49.76 47.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.736 -0.211 . . . . 0.53 111.009 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.96 -39.1 84.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 110.084 -0.339 . . . . 0.36 110.084 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.29 86.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 1.13 110.674 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.461 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.3 tpp -53.2 -50.34 64.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.871 -0.604 . . . . 1.17 111.426 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.88 -38.83 92.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.367 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.42 -41.29 80.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.168 -0.469 . . . . 1.54 111.629 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.28 -47.44 92.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.276 0.56 . . . . 1.12 109.73 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.8 m -62.42 -45.74 91.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.476 -0.784 . . . . 1.05 110.519 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.95 -43.44 98.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 2.66 111.311 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -59.46 -44.88 92.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.906 -0.588 . . . . 1.06 111.896 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.624 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 33.4 m-85 -83.98 -27.26 28.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.024 0.44 . . . . 2.18 111.378 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.88 4.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.56 -0.828 . . . . 0.43 113.115 175.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 47.5 p90 -131.19 162.61 29.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.756 -0.461 . . . . 2.14 109.756 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.7 23.92 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.749 -0.463 . . . . 2.33 109.749 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -62.2 -26.98 68.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.895 -0.593 . . . . 4.25 110.808 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.49 -4.82 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 3.2 110.876 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.19 -8.0 46.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 1.28 111.098 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.24 -33.73 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.502 -0.317 . . . . 0.54 110.442 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.76 -34.92 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 2.08 110.168 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.08 46.93 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.824 -0.703 . . . . 0.82 111.669 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.82 -48.02 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 1.16 110.561 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.67 4.37 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.344 -0.389 . . . . 1.23 111.32 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.06 14.71 8.94 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.33 -0.708 . . . . 1.25 111.33 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.27 -49.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 3.53 110.249 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.443 ' HB3' ' HG2' ' A' ' 21' ' ' GLU . 16.2 m -77.9 171.97 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 2.16 110.168 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.42 -23.62 60.16 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.711 1.004 . . . . 2.64 113.711 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 61.5 m-85 . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 2.4 112.066 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.293 -0.632 . . . . 2.43 109.293 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.6 tp -56.27 -43.93 79.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 1.15 110.52 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.9 82.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.994 -0.548 . . . . 1.23 111.859 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.24 -42.24 81.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.289 0.566 . . . . 2.3 109.966 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 69.6 mt -58.29 -49.19 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 1.23 110.553 176.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.48 -29.99 70.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.894 -0.594 . . . . 1.14 111.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.468 ' ND2' ' HB1' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -60.0 -43.27 95.3 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.971 0.415 . . . . 2.26 110.595 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 p -86.26 -24.73 25.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.812 -0.631 . . . . 2.01 111.625 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.218 0.532 . . . . 1.71 111.416 -176.75 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.468 ' HB1' ' ND2' ' A' ' 84' ' ' ASN . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.387 0.613 . . . . 1.65 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -72.42 162.74 29.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.73 -0.668 . . . . 1.73 110.381 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.8 -46.63 71.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.45 . . . . 2.61 110.022 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.458 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 8.8 pt-20 -54.43 -45.25 72.98 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.228 -0.896 . . . . 1.58 111.678 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.458 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.0 mt-10 -69.87 -44.6 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.54 111.107 -174.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.25 -49.83 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.942 -0.572 . . . . 1.12 110.428 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.18 85.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.9 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.51 88.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 1.08 110.893 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.91 -38.99 87.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.17 110.693 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.11 -51.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 1.05 111.361 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.466 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 31.6 m -68.04 -35.87 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.015 -0.274 . . . . 0.23 110.979 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.98 -32.56 72.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 1.58 109.987 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -64.47 -52.22 59.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.938 -0.574 . . . . 2.15 110.422 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.607 ' HE1' ' CE2' ' B' ' 30' ' ' PHE . 16.4 m-85 -60.21 -41.11 92.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 2.14 110.816 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.061 -0.518 . . . . 1.79 110.474 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 8.7 t -72.87 -24.71 60.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.61 -0.268 . . . . 1.45 110.447 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 59.0 mt -64.43 -52.53 54.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 1.08 110.566 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.54 -29.71 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.247 0.546 . . . . 0.47 110.111 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' B' ' 32' ' ' SER . 31.4 tt0 -54.52 -54.8 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.164 -0.925 . . . . 2.22 111.214 176.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.1 OUTLIER -95.91 18.26 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 2.64 111.603 -176.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.0 tptt 54.41 51.55 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.175 -0.921 . . . . 3.07 111.498 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -99.89 -2.09 35.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.547 . . . . 2.11 110.51 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.417 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.4 tt -133.26 151.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.543 -0.753 . . . . 1.11 109.881 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.77 176.16 7.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.353 -0.385 . . . . 2.24 110.767 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.48 -50.08 63.41 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.581 0.586 . . . . 2.19 112.581 -172.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.77 -48.5 77.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.904 0.383 . . . . 2.29 111.057 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -69.71 -36.02 74.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.612 -0.804 . . . . 0.42 112.403 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.09 70.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.533 0.206 . . . . 1.15 111.115 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -66.31 -31.45 72.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.937 0.398 . . . . 1.84 110.661 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -65.57 -38.82 90.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 1.26 110.007 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.09 -23.17 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.13 111.177 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.11 -49.89 46.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.728 -0.215 . . . . 0.53 111.015 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.82 -38.92 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.81 -0.356 . . . . 0.36 110.167 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.23 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 1.13 110.69 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.466 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -53.22 -50.22 65.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.987 -0.552 . . . . 1.17 111.477 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.79 -38.91 92.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 1.99 110.542 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 81.6 m -68.38 -41.14 80.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 1.54 111.675 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.32 -47.47 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.226 0.536 . . . . 1.12 109.784 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.6 m -62.34 -45.99 90.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.521 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.77 -43.57 97.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 2.66 111.262 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 1.06 111.773 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.612 ' HD1' ' CD2' ' B' ' 58' ' ' PHE . 33.5 m-85 -83.95 -27.1 28.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 2.17 111.402 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.73 36.33 4.31 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.72 -0.752 . . . . 0.43 113.083 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.635 ' HE1' ' CE2' ' B' ' 60' ' ' PHE . 47.1 p90 -131.54 162.57 29.97 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.895 -0.409 . . . . 2.14 109.895 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.6 23.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.145 -0.479 . . . . 2.33 109.821 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -62.09 -27.0 68.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 4.25 110.866 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.47 -4.87 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.366 . . . . 3.19 110.868 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.14 -7.81 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 1.28 111.025 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.37 -33.79 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.53 110.461 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -63.79 -34.69 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 2.07 110.171 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.84 -42.11 46.9 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.87 -0.681 . . . . 0.81 111.745 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.86 -47.86 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 1.15 110.514 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.97 4.65 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 1.23 111.246 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.51 15.23 8.62 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.289 -0.724 . . . . 1.24 111.289 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.5 -49.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.953 0.406 . . . . 3.53 110.271 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.442 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 16.2 m -77.85 172.04 14.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.615 . . . . 2.17 110.094 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.52 -23.58 60.03 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.782 1.03 . . . . 2.64 113.782 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' B' ' 74' ' ' PHE . 61.8 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 121.272 0.558 . . . . 2.4 111.987 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.436 -0.579 . . . . 2.43 109.436 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.2 -43.91 78.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.439 . . . . 1.15 110.644 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.03 82.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 1.23 111.778 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -57.15 -42.19 80.58 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.372 0.606 . . . . 2.3 109.969 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.24 -49.29 82.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.214 -0.903 . . . . 1.22 110.568 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.6 -29.95 70.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.59 . . . . 1.14 111.26 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . 0.489 ' ND2' ' HB1' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -59.95 -43.34 95.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.048 0.451 . . . . 2.26 110.605 176.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.4 p -86.36 -24.47 25.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 2.01 111.572 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.181 0.515 . . . . 1.7 111.319 -176.749 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' B' ' 84' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.127 0.489 . . . . 1.65 110.476 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.41 151.57 30.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.896 -0.593 . . . . 1.73 109.449 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 18.9 pttm -53.01 -42.9 66.09 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.945 0.339 . . . . 2.61 111.74 -175.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.52 -39.22 83.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.796 0.331 . . . . 1.57 111.674 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.46 -38.1 74.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.458 0.647 . . . . 1.54 110.36 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.52 -47.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.201 -0.908 . . . . 1.12 110.571 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.65 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.99 110.701 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.07 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 1.08 110.826 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.56 -35.52 77.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.613 0.244 . . . . 1.17 110.992 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.15 -54.07 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.251 -0.431 . . . . 1.05 110.973 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.38 -30.12 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.24 110.907 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.76 -44.35 93.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.59 110.064 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.606 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 52.5 t80 -60.98 -49.04 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 2.15 110.957 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 21.2 m-85 -57.74 -43.91 85.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 2.13 110.606 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 m -66.64 -28.72 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.938 -0.573 . . . . 1.79 110.715 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 t -73.6 -32.87 64.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 1.45 110.462 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.595 HD12 ' CE2' ' A' ' 29' ' ' TYR . 53.2 mt -65.33 -43.46 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 1.08 110.424 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.75 -19.76 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.47 110.767 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.64 -45.49 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.22 110.066 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -93.01 -9.54 39.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.396 0.617 . . . . 2.64 110.649 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.44 58.71 3.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.573 -1.194 . . . . 3.07 111.16 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -89.91 -30.02 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.837 -0.801 . . . . 2.12 108.837 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 tt -87.27 155.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.157 -0.929 . . . . 1.11 110.637 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.26 146.76 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 2.23 110.176 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.76 -27.67 69.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.386 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -44.04 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.029 0.442 . . . . 2.3 110.264 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -69.77 -33.77 71.43 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.42 112.02 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -37.66 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.967 0.413 . . . . 1.15 110.293 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.93 -42.86 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.305 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -29.45 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.908 0.385 . . . . 1.26 110.639 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 72.5 mt -70.29 -27.54 64.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.481 -0.327 . . . . 1.13 110.492 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.31 -54.9 29.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.618 -0.264 . . . . 0.53 110.828 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.7 -37.12 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.981 0.419 . . . . 0.36 110.252 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.42 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 1.13 110.987 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.517 ' HE2' ' CB ' ' A' ' 30' ' ' PHE . 12.4 tpp -58.21 -52.29 66.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 1.17 111.082 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.76 -31.64 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 1.99 110.85 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.8 m -62.89 -48.22 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 1.54 110.568 175.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.61 -45.3 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.223 0.535 . . . . 1.12 110.077 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 22.0 m -61.31 -48.55 80.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.412 -0.813 . . . . 1.05 111.219 -178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -65.41 -40.9 93.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 2.66 110.841 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.74 84.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 1.06 111.588 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 19' ' ' LYS . 26.5 m-85 -85.35 -17.65 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.222 -0.445 . . . . 2.18 111.375 -177.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.04 43.98 6.15 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.073 -0.584 . . . . 0.43 113.217 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 39.1 p90 -140.25 159.53 41.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 2.14 110.223 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.66 148.22 22.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.017 -0.538 . . . . 2.33 110.616 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -64.45 -18.5 64.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 4.25 111.488 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -96.66 -1.94 45.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.284 -0.417 . . . . 3.2 110.75 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.47 -0.19 30.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 1.28 111.025 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.79 -35.63 65.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.945 -0.57 . . . . 0.54 110.86 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 p -64.63 -36.05 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 2.08 110.751 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.12 -38.09 82.91 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.934 -0.651 . . . . 0.82 111.856 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.21 -41.19 88.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.019 0.438 . . . . 1.16 110.277 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.84 -1.27 16.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.997 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.78 -2.85 46.32 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.96 -0.638 . . . . 1.25 111.736 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -81.25 -45.17 16.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 3.53 110.346 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.3 m -125.43 -154.87 0.64 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.607 -0.724 . . . . 2.16 110.045 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.99 -112.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.123 0.264 . . . . 2.64 110.685 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.147 0.499 . . . . 2.4 110.934 178.049 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.0 m80 . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 109.257 -0.646 . . . . 2.43 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 83' ' ' LEU . 45.2 tp -54.46 -47.94 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.844 0.354 . . . . 1.15 110.641 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.96 95.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 1.23 111.678 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.9 -42.02 88.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.348 0.594 . . . . 2.3 109.935 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.9 mt -63.45 -49.41 82.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.129 -0.942 . . . . 1.23 111.437 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 79' ' ' LEU . 8.4 mp -62.99 -40.9 99.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 1.14 112.123 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' B' ' 17' ' ' ALA . 56.0 t30 -70.55 -44.34 67.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.806 0.336 . . . . 2.26 111.48 -176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.6 p -71.37 -6.46 40.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.506 0.558 . . . . 2.01 112.506 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 113.246 0.832 . . . . 1.71 113.246 -173.618 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 1.65 110.377 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.63 151.53 30.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.883 -0.599 . . . . 1.73 109.53 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' B' ' 58' ' ' PHE . 18.9 pttm -53.0 -42.78 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.875 0.307 . . . . 2.61 111.788 -175.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.55 -39.3 83.55 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.693 0.282 . . . . 1.58 111.667 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 41.2 mt-10 -70.35 -38.36 74.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 1.54 110.432 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.19 -47.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 1.12 110.542 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.75 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.675 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' B' ' 21' ' ' GLU . . . -56.11 -51.18 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 1.08 110.825 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.35 -35.58 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.978 -0.289 . . . . 1.17 111.064 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.08 -54.06 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 1.05 111.056 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.23 -30.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.707 0.289 . . . . 0.23 110.903 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.74 -44.29 93.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.58 110.057 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.628 ' HD1' ' CD2' ' B' ' 29' ' ' TYR . 52.3 t80 -61.04 -49.11 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 2.15 110.853 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.63 ' HD1' ' CD2' ' B' ' 30' ' ' PHE . 21.2 m-85 -57.71 -43.84 85.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 2.14 110.666 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.5 m -66.72 -28.68 68.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.873 -0.603 . . . . 1.79 110.625 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -73.65 -32.93 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.852 0.358 . . . . 1.45 110.486 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.602 HD12 ' CE2' ' B' ' 29' ' ' TYR . 53.1 mt -65.2 -43.54 95.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 1.08 110.385 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.67 -19.69 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.47 110.813 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.69 -45.68 88.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.12 0.486 . . . . 2.22 110.003 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -92.97 -9.26 40.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.45 0.643 . . . . 2.64 110.764 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.33 58.58 3.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.559 -1.201 . . . . 3.07 111.177 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.9 -29.93 18.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.868 -0.79 . . . . 2.11 108.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.2 tt -87.39 155.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.083 -0.962 . . . . 1.11 110.647 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.24 146.62 50.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.848 -0.614 . . . . 2.24 110.174 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.72 -27.63 69.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.407 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.4 -44.13 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.438 . . . . 2.29 110.187 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.447 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -69.82 -33.69 71.08 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.604 -0.726 . . . . 0.42 112.039 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.64 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.423 . . . . 1.15 110.264 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.82 -42.86 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.647 -0.706 . . . . 1.84 111.398 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -29.36 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.87 0.366 . . . . 1.26 110.65 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 72.7 mt -70.2 -27.63 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.501 -0.318 . . . . 1.13 110.623 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.19 -55.08 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.586 -0.279 . . . . 0.53 110.87 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.49 -37.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.946 0.403 . . . . 0.36 110.348 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 1.13 110.908 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.517 ' HE2' ' CB ' ' B' ' 30' ' ' PHE . 12.5 tpp -58.26 -52.46 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 1.17 110.931 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.61 -31.68 71.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.871 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 83.4 m -62.9 -48.13 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.533 -0.303 . . . . 1.54 110.489 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.63 -45.41 94.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.305 0.574 . . . . 1.12 110.094 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 22.0 m -61.24 -48.55 80.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.439 -0.8 . . . . 1.05 111.274 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -65.46 -40.78 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 2.66 110.847 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.98 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 1.06 111.631 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' B' ' 19' ' ' LYS . 26.9 m-85 -85.21 -17.56 36.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.089 -0.505 . . . . 2.17 111.441 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 44.24 6.11 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.967 -0.635 . . . . 0.43 113.241 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' B' ' 60' ' ' PHE . 39.0 p90 -140.6 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.94 0.37 . . . . 2.14 110.274 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -92.39 148.15 22.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.146 -0.479 . . . . 2.33 110.584 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -64.45 -18.23 64.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.689 -0.687 . . . . 4.25 111.431 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.86 -1.95 44.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.062 0.458 . . . . 3.19 110.699 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 -0.33 30.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 1.28 110.989 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.62 -35.62 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.866 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -64.68 -35.86 82.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 2.07 110.837 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.26 -38.02 81.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.018 -0.61 . . . . 0.81 111.936 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.26 -41.24 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.073 0.463 . . . . 1.15 110.296 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.76 -1.49 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 1.23 111.03 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.7 -2.94 46.61 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.934 -0.651 . . . . 1.24 111.715 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -81.14 -45.25 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 3.53 110.374 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.1 m -125.48 -155.01 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.681 -0.69 . . . . 2.17 109.985 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.76 -112.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.544 0.211 . . . . 2.64 110.676 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.234 0.54 . . . . 2.4 110.964 178.017 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m80 . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 109.23 -0.655 . . . . 2.43 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.513 ' O ' HD11 ' B' ' 83' ' ' LEU . 45.3 tp -54.61 -47.92 72.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.724 0.297 . . . . 1.15 110.634 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.06 96.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.385 -0.371 . . . . 1.23 111.638 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -58.86 -42.0 88.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.346 0.594 . . . . 2.3 109.95 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 50.7 mt -63.45 -49.37 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.153 -0.93 . . . . 1.22 111.493 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.513 HD11 ' O ' ' B' ' 79' ' ' LEU . 8.4 mp -63.09 -40.79 98.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.949 -0.569 . . . . 1.14 112.134 -176.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 56.3 t30 -70.67 -44.14 67.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.587 -0.278 . . . . 2.26 111.384 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -72.78 -3.68 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.438 0.533 . . . . 2.01 112.438 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 113.083 0.771 . . . . 1.7 113.083 -174.153 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.567 -0.531 . . . . 1.65 109.567 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -76.29 165.29 25.08 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.107 -0.331 . . . . 1.73 110.107 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -50.72 -54.3 24.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.782 0.325 . . . . 2.61 111.418 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.13 -35.06 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 1.57 111.595 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -76.81 -36.63 56.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.566 . . . . 1.54 110.745 -174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.03 -49.66 78.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 1.12 109.743 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.71 76.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.99 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.52 -43.83 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.692 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CD2' ' A' ' 74' ' ' PHE . 42.5 mt -70.65 -34.67 72.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.448 -0.342 . . . . 1.17 111.119 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.66 -51.08 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 1.05 110.641 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.8 m -71.61 -29.18 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.24 110.647 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -62.0 -43.61 98.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.307 -0.406 . . . . 1.59 110.483 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 29.4 t80 -58.62 -51.43 69.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 2.15 110.357 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.463 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 23.2 m-85 -61.04 -42.24 98.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.13 110.735 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -60.59 -41.85 95.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.79 110.496 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -65.43 -39.58 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 1.45 110.429 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.508 HD12 ' CZ ' ' A' ' 29' ' ' TYR . 61.1 mt -58.4 -50.89 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 1.08 110.951 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.89 -24.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.427 -0.352 . . . . 0.47 111.144 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.55 -44.82 93.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 2.22 111.027 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -100.16 9.78 42.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 2.64 111.146 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.74 61.52 3.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.005 -0.998 . . . . 3.07 110.613 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.83 -9.62 36.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.265 -0.88 . . . . 2.12 109.28 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.489 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 15.4 tt -120.75 160.02 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.846 -1.07 . . . . 1.11 109.849 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -70.77 155.57 40.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 2.23 110.222 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.39 -43.89 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.864 0.32 . . . . 2.19 111.864 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.38 -34.84 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 2.3 110.753 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.18 -36.05 51.78 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.98 -0.629 . . . . 0.42 111.746 178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.59 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.157 0.504 . . . . 1.15 109.98 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.43 -45.59 83.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.345 -0.843 . . . . 1.84 111.107 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.3 -30.41 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 1.26 110.835 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.61 -19.84 62.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.499 -0.318 . . . . 1.13 111.206 175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.84 -49.6 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.452 0.168 . . . . 0.53 110.703 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.5 -31.2 52.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.099 0.476 . . . . 0.36 109.971 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.572 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -66.73 -42.76 85.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.943 -0.571 . . . . 1.13 110.346 174.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.467 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.5 tpp -50.67 -48.67 58.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.718 -0.674 . . . . 1.17 111.479 -176.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.25 -50.03 69.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.632 -0.713 . . . . 1.99 111.654 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' A' ' 50' ' ' ALA . 6.2 p -71.3 -36.29 71.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.985 0.365 . . . . 1.54 111.985 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.55 -51.58 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.4 0.619 . . . . 1.12 109.859 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -63.41 -41.38 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.208 -0.905 . . . . 1.05 110.408 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.64 -33.19 73.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.527 . . . . 2.66 111.073 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.95 70.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.06 111.359 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 1.639 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 44.4 m-85 -77.28 -17.6 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.063 -0.517 . . . . 2.18 111.417 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.26 43.81 4.54 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.762 -0.732 . . . . 0.43 113.21 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.45 173.22 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.759 -0.46 . . . . 2.14 109.759 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.37 153.24 26.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.022 0.439 . . . . 2.33 110.868 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.89 -18.91 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.421 -0.809 . . . . 4.25 111.223 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -83.99 -5.85 59.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 3.2 111.018 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 1.66 23.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.713 0.292 . . . . 1.28 111.177 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 7.7 p -62.16 -40.09 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 0.54 111.25 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -66.53 -37.15 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 2.08 110.698 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.64 94.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.909 -0.663 . . . . 0.82 111.843 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -45.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.657 0.265 . . . . 1.16 110.667 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 93.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 1.23 111.309 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.16 -31.82 80.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 1.25 111.987 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -79.89 -35.42 38.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.783 0.325 . . . . 3.53 110.998 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -73.77 -175.36 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 2.16 111.862 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.51 -44.87 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.059 -0.519 . . . . 2.64 110.627 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CD2' HD12 ' A' ' 25' ' ' LEU . 12.8 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 2.4 111.983 -164.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.085 -0.709 . . . . 2.43 109.085 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 54.6 tp -54.27 -43.85 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.103 0.478 . . . . 1.15 110.934 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -65.65 -31.28 72.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 1.23 112.102 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.419 0.628 . . . . 2.3 109.629 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 98.0 mt -59.1 -53.33 49.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.799 -1.091 . . . . 1.23 110.948 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.47 -26.0 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.775 -0.648 . . . . 1.14 111.532 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.49 -34.84 65.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 2.26 110.637 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -85.58 -17.59 35.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 2.01 110.981 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.544 -0.298 . . . . 1.71 110.675 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.628 -0.508 . . . . 1.65 109.628 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -76.1 165.12 25.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.077 -0.342 . . . . 1.73 110.077 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.61 -54.49 22.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.932 0.396 . . . . 2.61 111.366 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.06 -35.22 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 1.58 111.472 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -76.75 -36.58 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.538 . . . . 1.54 110.706 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.0 -49.71 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 1.12 109.729 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.8 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.91 84.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.029 -0.532 . . . . 1.08 110.687 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' B' ' 74' ' ' PHE . 42.7 mt -70.58 -34.71 72.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.497 -0.319 . . . . 1.17 111.153 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.67 -51.13 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.019 -0.537 . . . . 1.05 110.653 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.468 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.8 m -71.56 -29.12 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.573 -0.285 . . . . 0.23 110.579 178.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.11 -43.49 98.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.426 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 0.508 ' CZ ' HD12 ' B' ' 33' ' ' ILE . 29.3 t80 -58.7 -51.47 69.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 2.15 110.357 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.471 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 23.1 m-85 -61.03 -42.2 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 2.14 110.825 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.6 t -60.68 -41.89 96.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 1.79 110.339 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -65.35 -39.55 92.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 1.45 110.455 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.508 HD12 ' CZ ' ' B' ' 29' ' ' TYR . 61.3 mt -58.37 -50.84 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 1.08 111.019 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.05 -24.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 0.47 111.221 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.76 -44.87 92.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.22 110.999 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -100.08 9.59 42.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.066 0.46 . . . . 2.64 111.178 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.99 61.19 3.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.018 -0.992 . . . . 3.07 110.687 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.6 -9.69 37.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 2.11 109.208 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.489 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 15.4 tt -120.59 160.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.95 -1.023 . . . . 1.11 109.818 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -70.83 155.6 40.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.18 -0.304 . . . . 2.24 110.18 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.33 -44.08 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.718 0.294 . . . . 2.19 111.79 -174.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.08 -34.94 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 2.29 110.791 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.15 -36.19 51.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.011 -0.614 . . . . 0.42 111.727 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.67 81.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.312 0.577 . . . . 1.15 110.038 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.32 -45.57 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.267 -0.879 . . . . 1.84 110.965 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.45 -30.36 70.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 1.26 110.83 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.61 -20.0 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 1.13 111.168 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -73.77 -49.54 24.94 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.265 -0.174 . . . . 0.53 110.751 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.35 -31.5 53.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.014 0.435 . . . . 0.36 109.967 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.572 ' HA ' ' SG ' ' B' ' 53' ' ' CYS . . . -66.57 -42.73 86.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.13 110.316 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.471 ' HE2' ' HB2' ' B' ' 30' ' ' PHE . 15.5 tpp -50.74 -48.62 59.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 1.17 111.493 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.38 -50.0 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 1.99 111.525 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' B' ' 50' ' ' ALA . 6.2 p -71.33 -36.16 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 1.54 111.985 -174.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 86.9 mt -59.75 -51.42 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.3 0.571 . . . . 1.12 109.8 175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.44 -41.33 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.276 -0.874 . . . . 1.05 110.403 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.67 -33.33 73.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 2.66 110.959 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.78 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 1.06 111.382 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 45.0 m-85 -77.45 -17.4 58.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.988 -0.551 . . . . 2.17 111.387 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 44.1 4.56 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.72 -0.753 . . . . 0.43 113.198 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.61 173.25 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.745 -0.465 . . . . 2.14 109.745 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.39 153.29 26.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.051 0.453 . . . . 2.33 110.782 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.91 -18.93 64.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.304 -0.862 . . . . 4.25 111.133 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.15 -5.64 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.808 0.337 . . . . 3.19 111.019 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.63 1.71 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.317 . . . . 1.28 111.248 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 7.8 p -62.2 -40.11 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.53 111.206 -176.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -66.54 -36.95 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.78 0.324 . . . . 2.07 110.687 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.5 -43.91 93.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.93 -0.653 . . . . 0.81 111.837 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.75 0.31 . . . . 1.15 110.689 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 93.8 mt -63.09 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.23 111.223 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.21 -31.96 80.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.901 -0.666 . . . . 1.24 111.967 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -79.68 -35.46 39.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.742 0.306 . . . . 3.53 111.048 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.74 -175.45 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.027 0.441 . . . . 2.17 111.831 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.39 -44.97 85.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.206 0.527 . . . . 2.64 110.656 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.539 ' CD2' HD12 ' B' ' 25' ' ' LEU . 12.3 m-85 . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.756 -0.656 . . . . 2.4 111.974 -164.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.6 m80 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.138 -0.69 . . . . 2.43 109.138 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 54.9 tp -54.3 -43.82 71.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.135 0.493 . . . . 1.15 110.932 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.423 ' HB3' ' CE1' ' B' ' 29' ' ' TYR . . . -65.48 -31.44 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 1.23 112.126 -176.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -60.36 -39.91 88.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.461 0.648 . . . . 2.3 109.603 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 98.0 mt -59.14 -53.46 47.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.885 -1.052 . . . . 1.22 110.9 176.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.5 -25.84 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 1.14 111.512 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -73.5 -34.91 65.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.411 -0.359 . . . . 2.26 110.7 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.4 t -85.47 -17.72 35.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 2.01 110.918 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 120.678 0.275 . . . . 1.7 110.647 -179.545 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.323 0.582 . . . . 1.65 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.8 163.75 27.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.423 -0.808 . . . . 1.73 110.907 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -51.95 -46.41 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.219 0.533 . . . . 2.61 110.608 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -57.55 -41.51 81.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.029 -0.987 . . . . 1.57 111.69 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.82 -44.02 74.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 1.54 110.504 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.35 -49.56 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.292 -0.867 . . . . 1.12 110.515 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.7 77.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.99 111.087 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.1 86.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.08 110.745 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 97.7 mt -68.1 -34.09 75.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 1.17 110.859 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.63 -52.18 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.159 -0.473 . . . . 1.05 111.079 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.13 -27.13 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.24 110.472 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -62.89 -47.12 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.59 110.366 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -58.68 -51.46 69.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.887 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.632 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 22.0 m-85 -59.88 -41.47 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.264 -0.426 . . . . 2.13 110.876 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -63.32 -35.54 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 1.79 110.902 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.5 m -64.36 -38.15 90.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.745 0.307 . . . . 1.45 110.859 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 29.2 mt -68.09 -43.97 84.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.936 0.398 . . . . 1.08 110.964 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.14 -30.89 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.47 111.392 -176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.32 -37.86 88.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.524 -0.307 . . . . 2.22 111.068 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' SER . 46.7 pttt -90.48 1.78 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 2.64 111.048 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 55.27 48.62 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.415 -0.811 . . . . 3.07 110.787 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -93.09 -28.86 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.451 0.644 . . . . 2.12 109.79 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.4 tt -93.84 151.38 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.252 -0.885 . . . . 1.11 109.796 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 m -64.33 153.02 39.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.467 -0.333 . . . . 2.23 111.249 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.59 -47.27 63.6 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.085 0.402 . . . . 2.19 112.085 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.87 -45.64 86.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.544 -0.298 . . . . 2.3 111.061 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.4 96.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.033 -0.603 . . . . 0.42 112.024 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -47.2 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.15 110.692 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.83 -36.42 82.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.865 -0.607 . . . . 1.84 110.668 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.2 t -62.8 -39.66 94.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 1.26 110.08 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.73 -25.97 66.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 1.13 111.309 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -67.34 -52.88 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.781 -0.19 . . . . 0.53 111.245 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.53 -34.82 72.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.36 109.949 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.1 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 1.13 110.478 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.434 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 11.5 ttm -67.76 -36.54 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 1.17 111.436 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.4 -33.82 76.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.521 . . . . 1.99 109.822 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.8 m -72.0 -46.21 58.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.566 -0.743 . . . . 1.54 110.491 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 70.3 mt -55.7 -53.63 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.113 0.482 . . . . 1.12 110.507 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 14.0 p -60.05 -46.67 88.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.646 -0.706 . . . . 1.05 111.553 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.61 -33.28 74.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 2.66 111.065 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -35.26 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 1.06 111.543 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 51.5 m-85 -94.61 -20.86 19.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 2.18 111.041 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 43.94 2.1 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.811 -0.709 . . . . 0.43 113.555 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' SER . 50.7 p90 -150.14 179.9 7.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.04 0.42 . . . . 2.14 110.012 175.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.72 169.9 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.32 -0.252 . . . . 2.33 110.32 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.79 -45.34 94.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.75 0.278 . . . . 4.25 111.75 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -67.96 -9.54 46.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.747 0.277 . . . . 3.2 111.747 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -14.16 55.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.741 -0.209 . . . . 1.28 111.397 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.55 -35.21 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.843 0.354 . . . . 0.54 110.776 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -62.36 -35.3 78.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 2.08 110.527 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.27 -41.07 27.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.967 -0.635 . . . . 0.82 111.975 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -61.14 -45.18 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.336 . . . . 1.16 110.303 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' HA ' ' HG ' ' A' ' 72' ' ' SER . 87.5 mt -72.87 -0.9 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 1.23 111.439 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.03 -25.86 10.09 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.792 -0.718 . . . . 1.25 111.691 175.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.39 -24.52 13.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.047 0.451 . . . . 3.53 111.056 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.412 ' HG ' ' HA ' ' A' ' 69' ' ' LEU . 57.3 p -75.18 173.7 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 2.16 111.215 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -90.8 13.09 17.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.877 -0.601 . . . . 2.64 110.782 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CG ' HD12 ' A' ' 25' ' ' LEU . 80.6 m-85 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.389 0.614 . . . . 2.4 109.867 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.271 -0.64 . . . . 2.43 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 38.0 tp -55.25 -54.17 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 1.15 111.289 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.17 -30.82 71.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.327 -0.397 . . . . 1.23 111.402 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -65.27 -43.53 90.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.54 0.686 . . . . 2.3 109.572 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.08 -50.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.848 -1.069 . . . . 1.23 110.798 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 1.14 111.082 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -69.7 -17.94 63.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.269 0.557 . . . . 2.26 110.542 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m -89.36 -8.89 52.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.866 -0.606 . . . . 2.01 110.964 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 1.71 111.207 -177.099 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.329 0.585 . . . . 1.65 109.642 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.94 163.59 27.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.337 -0.847 . . . . 1.73 110.973 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -51.81 -46.44 64.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.182 0.515 . . . . 2.61 110.578 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.073 -0.967 . . . . 1.58 111.635 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.93 -44.12 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.271 0.558 . . . . 1.54 110.449 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 47.4 mt -64.14 -49.67 80.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.303 -0.862 . . . . 1.12 110.551 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.54 77.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.089 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.17 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 1.08 110.703 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 97.3 mt -68.0 -34.09 75.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 1.17 110.915 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.74 -52.12 61.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.05 111.113 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.09 -27.21 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.23 110.424 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.87 -47.17 84.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.841 -0.618 . . . . 1.58 110.333 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -58.61 -51.59 69.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 2.15 110.84 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 1.614 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 22.0 m-85 -59.75 -41.45 91.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.365 . . . . 2.14 110.868 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -63.53 -35.27 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.396 . . . . 1.79 110.882 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.58 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 50.8 m -64.6 -38.19 90.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.869 0.366 . . . . 1.45 110.823 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 29.1 mt -67.92 -43.96 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.937 0.399 . . . . 1.08 111.036 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.12 -31.02 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.47 111.395 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.23 -37.84 88.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.776 0.322 . . . . 2.22 111.101 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 32' ' ' SER . 46.6 pttt -90.35 1.43 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.417 . . . . 2.64 111.169 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttm 55.58 48.66 18.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.335 -0.848 . . . . 3.07 110.776 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.21 -28.66 16.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.583 0.706 . . . . 2.11 109.81 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.425 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.4 tt -94.14 151.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.22 -0.9 . . . . 1.11 109.797 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -64.38 153.17 39.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.419 -0.355 . . . . 2.24 111.194 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -51.75 -47.24 64.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.151 0.426 . . . . 2.19 112.151 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.05 -45.53 86.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.585 -0.279 . . . . 2.29 110.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.4 96.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.045 -0.598 . . . . 0.42 112.119 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.23 84.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 1.15 110.773 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.91 -36.33 82.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.712 -0.676 . . . . 1.84 110.621 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.3 t -62.81 -39.66 94.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.743 -0.662 . . . . 1.26 110.09 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.7 -26.17 66.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 1.13 111.328 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -67.19 -53.02 34.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.787 -0.188 . . . . 0.53 111.25 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.37 -34.86 72.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.027 0.441 . . . . 0.36 109.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.966 -0.561 . . . . 1.13 110.507 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 11.3 ttm -67.66 -36.72 81.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 1.17 111.451 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.32 -33.78 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.368 0.604 . . . . 1.99 109.877 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.7 m -72.04 -46.07 58.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.554 -0.748 . . . . 1.54 110.484 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.456 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 70.1 mt -55.92 -53.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.063 0.459 . . . . 1.12 110.463 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 14.2 p -60.04 -46.6 89.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.659 . . . . 1.05 111.582 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.86 -32.98 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 2.66 111.163 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 1.06 111.453 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 51.5 m-85 -94.82 -20.53 19.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 2.17 111.1 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 44.06 2.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.43 113.618 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' B' ' 55' ' ' SER . 50.9 p90 -150.26 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.938 -0.393 . . . . 2.14 109.938 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.77 169.79 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.397 -0.223 . . . . 2.33 110.397 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.89 -45.13 95.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.724 0.268 . . . . 4.25 111.724 -174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.3 -9.36 47.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.163 -0.336 . . . . 3.19 111.76 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.71 -14.11 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.701 -0.227 . . . . 1.28 111.401 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.44 -35.35 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.847 0.356 . . . . 0.53 110.89 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.7 m -62.17 -35.27 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 2.07 110.637 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.41 -40.95 26.76 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.992 -0.549 . . . . 0.81 112.028 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.714 0.292 . . . . 1.15 110.288 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' B' ' 72' ' ' SER . 87.3 mt -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 1.23 111.471 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.18 -25.65 10.14 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.771 -0.728 . . . . 1.24 111.68 175.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -102.46 -24.75 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.988 0.423 . . . . 3.53 110.989 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.421 ' HG ' ' HA ' ' B' ' 69' ' ' LEU . 57.6 p -74.96 173.79 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.022 -0.536 . . . . 2.17 111.239 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -90.91 13.07 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 2.64 110.77 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.423 ' CG ' HD12 ' B' ' 25' ' ' LEU . 80.0 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 2.4 109.813 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.315 -0.624 . . . . 2.43 109.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 37.9 tp -55.13 -54.23 45.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 1.15 111.379 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.97 71.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.314 -0.403 . . . . 1.23 111.379 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -65.29 -43.68 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.428 0.632 . . . . 2.3 109.5 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.03 -50.24 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.882 -1.054 . . . . 1.22 110.874 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 1.14 111.008 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -69.87 -17.36 63.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.138 0.494 . . . . 2.26 110.521 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.6 m -90.89 -7.09 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.043 -0.526 . . . . 2.01 110.779 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 1.7 111.136 -177.698 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.118 0.485 . . . . 1.65 111.242 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.64 157.7 36.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.24 -0.436 . . . . 1.73 110.125 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.88 -51.39 57.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 2.61 111.244 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.63 -33.77 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 1.57 111.526 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -76.28 -37.55 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.15 -0.477 . . . . 1.54 110.939 -175.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.16 -49.59 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 1.12 109.765 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.06 72.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.99 110.682 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.55 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 1.08 110.669 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 74' ' ' PHE . 75.5 mt -66.86 -37.37 84.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.307 -0.406 . . . . 1.17 111.038 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.01 -51.02 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.077 -0.51 . . . . 1.05 111.162 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.562 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 28.6 m -68.91 -32.94 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.93 -0.308 . . . . 0.24 110.667 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -66.99 -32.58 73.91 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.073 0.463 . . . . 1.59 110.233 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 1.665 ' HE2' ' CE1' ' A' ' 29' ' ' TYR . 54.3 t80 -68.68 -51.83 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.826 -0.624 . . . . 2.15 110.697 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 18.4 m-85 -61.17 -44.75 96.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 2.13 111.259 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -67.49 -22.24 65.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.404 -0.362 . . . . 1.79 111.121 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -71.84 -41.53 68.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 1.45 110.238 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 16.6 mt -66.45 -39.29 83.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.181 -0.463 . . . . 1.08 110.836 -177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.48 -27.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.47 110.635 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.55 74.11 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.127 0.489 . . . . 2.22 110.119 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.51 ' HZ3' ' HB2' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -81.83 -1.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.855 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' CE ' ' HG2' ' A' ' 41' ' ' GLU . 19.7 tptm 55.93 45.63 23.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.858 -1.064 . . . . 3.07 111.43 175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.75 -18.01 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.323 0.582 . . . . 2.12 110.235 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 18.6 tt -94.12 150.78 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.823 -0.626 . . . . 1.11 110.149 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -59.01 138.53 57.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 2.23 110.558 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' CE ' ' A' ' 37' ' ' LYS . 39.3 mt-10 -62.32 -29.63 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.267 -0.879 . . . . 2.19 112.326 -170.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.56 -46.96 71.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.037 0.446 . . . . 2.3 109.989 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.47 85.66 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.42 111.898 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.47 89.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.947 0.404 . . . . 1.15 110.45 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.48 -41.21 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.497 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 1.26 110.384 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.75 -27.19 62.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.13 110.98 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -68.19 -50.35 54.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.727 -0.215 . . . . 0.53 110.801 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -35.48 75.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.019 0.438 . . . . 0.36 110.207 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 1.13 110.642 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.562 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.4 tpp -57.39 -48.66 78.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.956 -0.565 . . . . 1.17 110.776 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -43.99 94.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.602 -0.726 . . . . 1.99 110.214 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.49 -46.91 86.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.608 -0.723 . . . . 1.54 111.689 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.37 -51.01 77.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.014 0.435 . . . . 1.12 110.325 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 18.7 m -59.81 -46.45 89.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.05 110.726 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 2.66 111.268 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.3 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 1.06 111.754 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -91.4 -12.09 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.841 0.353 . . . . 2.18 111.486 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.56 39.73 9.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 0.43 113.257 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.3 p90 -138.37 164.89 28.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.038 0.419 . . . . 2.14 109.904 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -98.02 143.72 28.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.982 0.42 . . . . 2.33 110.441 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.12 -19.83 55.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.417 -0.811 . . . . 4.25 111.293 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -84.79 -15.53 44.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.354 -0.384 . . . . 3.2 110.685 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 -0.27 53.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.28 111.483 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 p -58.47 -38.85 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.834 0.349 . . . . 0.54 111.17 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -63.3 -37.13 86.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 2.08 110.128 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.32 -39.7 70.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.82 112.183 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.56 -48.2 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.069 0.462 . . . . 1.16 110.622 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.25 -36.72 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.826 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.27 -26.27 72.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.78 -0.724 . . . . 1.25 112.061 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -68.99 -57.35 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 3.53 111.148 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.3 m -98.64 -115.06 0.15 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.152 -0.476 . . . . 2.16 111.149 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -126.04 -147.73 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.0 -0.371 . . . . 2.64 110.0 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 1.598 ' HD1' ' CD2' ' A' ' 74' ' ' PHE . 70.3 m-85 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.673 0.749 . . . . 2.4 109.78 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.1 m80 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.569 -0.53 . . . . 2.43 109.569 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.492 ' O ' HD11 ' A' ' 83' ' ' LEU . 40.7 tp -56.09 -53.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.809 0.338 . . . . 1.15 110.83 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.43 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.365 . . . . 1.23 111.478 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.41 -45.57 87.02 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.333 0.587 . . . . 2.3 109.682 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.7 mt -58.44 -50.34 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.23 111.159 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -60.07 -38.61 83.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 1.14 111.089 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -69.52 -37.51 77.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 2.26 110.784 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -69.53 -28.42 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.085 0.469 . . . . 2.01 110.501 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.238 -0.437 . . . . 1.71 111.068 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.153 0.501 . . . . 1.65 111.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.71 157.63 36.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.157 -0.474 . . . . 1.73 110.226 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.73 -51.51 55.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.408 . . . . 2.61 111.19 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.63 -33.72 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.644 -0.707 . . . . 1.58 111.512 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -76.31 -37.44 57.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.134 -0.485 . . . . 1.54 110.945 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.2 -49.54 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.101 -0.5 . . . . 1.12 109.859 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.07 72.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.719 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.43 75.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.643 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.94 -37.37 84.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.374 -0.375 . . . . 1.17 110.979 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.03 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 1.05 111.173 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.558 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 28.6 m -68.99 -32.8 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.86 -0.336 . . . . 0.23 110.763 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -67.05 -32.46 73.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 1.58 110.37 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' TYR . . . . . 1.666 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 54.0 t80 -68.77 -51.83 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 2.15 110.693 177.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PHE . . . . . 0.468 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 18.3 m-85 -61.16 -44.76 96.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 2.14 111.235 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -67.61 -22.14 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 1.79 111.121 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -71.98 -41.56 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 1.45 110.085 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 16.6 mt -66.43 -39.33 83.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.157 -0.474 . . . . 1.08 110.822 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.45 -27.08 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.47 110.63 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.81 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.133 0.492 . . . . 2.22 110.021 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.501 ' HZ3' ' HB2' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -81.66 -1.81 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 2.64 110.945 179.006 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.419 ' CE ' ' HG2' ' B' ' 41' ' ' GLU . 19.8 tptm 55.96 45.29 24.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.78 -1.1 . . . . 3.07 111.47 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.29 -18.39 18.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.189 0.519 . . . . 2.11 110.246 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.415 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 18.6 tt -93.71 150.75 3.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.855 -0.612 . . . . 1.11 110.152 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -58.91 138.54 57.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 2.24 110.607 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' CE ' ' B' ' 37' ' ' LYS . 40.0 mt-10 -62.7 -29.4 70.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.215 -0.902 . . . . 2.19 112.284 -169.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 -47.02 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.022 0.439 . . . . 2.29 110.077 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.6 86.2 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.604 -0.726 . . . . 0.42 111.884 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 1.15 110.364 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.64 -41.04 93.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.529 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -62.21 -34.54 76.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 1.26 110.449 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.74 -27.31 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 1.13 110.97 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.25 -50.06 56.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.625 -0.261 . . . . 0.53 110.94 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.69 -35.62 75.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.36 110.101 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.45 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 1.13 110.622 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' MET . . . . . 0.558 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -57.42 -48.59 78.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.995 -0.548 . . . . 1.17 110.818 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.84 -44.07 94.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.588 -0.733 . . . . 1.99 110.21 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.56 -46.93 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.532 -0.758 . . . . 1.54 111.706 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.41 -50.93 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.032 0.444 . . . . 1.12 110.262 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.7 m -59.87 -46.46 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.575 -0.739 . . . . 1.05 110.72 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.38 -42.41 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 2.66 111.271 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.19 90.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 1.06 111.776 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -91.5 -12.34 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.913 0.387 . . . . 2.17 111.46 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.59 9.5 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.43 113.279 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' B' ' 60' ' ' PHE . 39.5 p90 -138.18 165.1 27.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.911 -0.403 . . . . 2.14 109.911 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -98.18 143.68 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.038 0.447 . . . . 2.33 110.428 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -60.09 -19.8 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.389 -0.823 . . . . 4.25 111.323 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -84.81 -15.48 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 3.19 110.797 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.36 -0.33 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 1.28 111.533 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 p -58.39 -38.9 72.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.53 111.136 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -63.52 -36.76 84.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 2.07 110.187 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.53 -39.64 68.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.032 -0.604 . . . . 0.81 112.169 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.53 -48.22 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.971 0.415 . . . . 1.15 110.686 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -36.75 82.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.617 . . . . 1.23 110.859 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.16 -26.42 72.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 1.24 112.222 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.89 -57.43 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.829 0.347 . . . . 3.53 111.096 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.8 m -98.6 -115.18 0.15 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 2.17 111.126 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' B' ' 74' ' ' PHE . 9.6 pt-20 -126.02 -147.66 0.37 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.023 -0.362 . . . . 2.64 110.023 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 1.618 ' HE1' ' CE2' ' B' ' 74' ' ' PHE . 70.2 m-85 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.604 0.716 . . . . 2.4 109.676 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 m80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.574 -0.528 . . . . 2.43 109.574 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.493 ' O ' HD11 ' B' ' 83' ' ' LEU . 40.7 tp -56.35 -53.28 59.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 1.15 110.862 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.4 72.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.42 -0.354 . . . . 1.23 111.484 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.24 -45.69 87.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.445 0.641 . . . . 2.3 109.668 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -58.47 -50.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.796 -1.093 . . . . 1.22 111.124 177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . 0.493 HD11 ' O ' ' B' ' 79' ' ' LEU . 10.7 mp -60.13 -38.48 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.015 -0.538 . . . . 1.14 111.068 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -69.64 -37.58 76.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.272 -0.422 . . . . 2.26 110.839 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.7 t -69.47 -28.33 65.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 2.01 110.515 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 1.7 110.983 -179.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.534 ' HG2' ' CD ' ' A' ' 73' ' ' GLU . 26.5 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.531 0.205 . . . . 6.77 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.42 ' HG2' ' OE2' ' A' ' 73' ' ' GLU . 23.2 mmt -76.21 147.82 38.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.149 0.5 . . . . 5.28 110.342 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HA ' ' ND2' ' B' ' 84' ' ' ASN . 15.3 m -89.17 12.06 16.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 2.41 110.676 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.82 78.68 0.28 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-N 115.135 -0.938 . . . . 1.65 111.322 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -74.34 166.31 23.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 1.73 109.46 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -55.11 -53.73 52.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 2.61 111.049 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.44 -36.03 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.458 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.11 -41.07 82.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 1.54 110.603 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.88 -52.07 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.796 -0.638 . . . . 1.12 110.195 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.81 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 0.99 110.742 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.43 -54.19 46.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 1.08 111.068 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD12 ' CG ' ' A' ' 74' ' ' PHE . 89.4 mt -63.84 -37.15 86.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.478 -0.328 . . . . 1.17 110.98 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.5 mt -63.3 -52.38 59.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 1.05 111.006 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.9 -30.08 42.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.974 -0.29 . . . . 0.24 110.938 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.54 -43.36 90.19 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 1.59 109.895 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CE2' HD12 ' A' ' 33' ' ' ILE . 43.4 t80 -61.85 -46.24 90.32 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.117 -0.492 . . . . 2.15 110.552 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.36 -38.3 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 2.13 110.376 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.5 m -63.68 -39.87 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 1.79 110.554 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 m -64.54 -37.42 87.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 1.45 111.054 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 HD12 ' CE2' ' A' ' 29' ' ' TYR . 63.9 mt -60.68 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.242 -0.436 . . . . 1.08 111.113 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.9 -23.31 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.47 110.799 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.58 -46.51 88.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.374 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 32' ' ' SER . 20.8 ptmt -90.09 10.64 23.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 2.64 110.832 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? 39.91 51.21 2.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.459 1.104 . . . . 3.07 112.304 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -90.21 -29.35 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.387 0.613 . . . . 2.12 109.812 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.3 tt -85.89 160.9 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.173 -0.921 . . . . 1.11 110.093 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 t -76.64 158.77 30.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.248 -0.278 . . . . 2.23 110.248 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.63 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.721 0.296 . . . . 2.19 111.22 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 2.3 110.839 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.38 84.01 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.42 112.748 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.25 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 1.15 110.572 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -65.76 -38.15 88.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 1.84 110.683 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.7 m -58.35 -43.51 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 1.26 110.352 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.63 -27.8 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 1.13 111.315 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -68.56 -57.12 6.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.757 -0.201 . . . . 0.53 110.778 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.48 -34.81 71.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.36 110.488 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.81 92.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.373 -0.376 . . . . 1.13 110.346 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.428 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 9.0 ttm -67.49 -38.11 83.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 1.17 110.862 -177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -59.92 -40.53 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.254 0.55 . . . . 1.99 109.741 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.27 -0.877 . . . . 1.54 111.055 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.22 -47.22 87.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.499 . . . . 1.12 109.859 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 20.0 m -62.32 -43.15 99.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.481 -0.781 . . . . 1.05 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.71 -39.16 90.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 2.66 111.014 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.14 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 1.06 111.825 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 62.7 m-85 -84.05 -13.53 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.032 0.382 . . . . 2.18 112.032 -175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.79 52.31 5.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.992 -0.623 . . . . 0.43 112.89 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.627 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 4.7 p90 -150.38 166.7 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.585 -0.524 . . . . 2.14 109.585 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -100.2 157.62 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.54 -0.3 . . . . 2.33 110.341 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -57.84 -57.11 14.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.266 -0.174 . . . . 4.25 111.366 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.72 -15.65 42.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.888 0.375 . . . . 3.2 111.403 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.79 -18.08 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.631 -0.259 . . . . 1.28 111.122 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.86 -33.79 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.86 0.362 . . . . 0.54 110.568 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -64.85 -29.99 70.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.232 0.539 . . . . 2.08 110.723 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.2 -42.86 7.31 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.82 111.79 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.77 -47.58 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 1.16 110.715 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 73.1 mt -77.32 3.7 12.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.23 110.988 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.97 -29.66 7.53 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.881 -0.888 . . . . 1.25 110.881 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -85.35 -43.6 13.54 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.923 0.392 . . . . 3.53 110.26 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -79.43 150.59 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 2.16 109.665 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.534 ' CD ' ' HG2' ' A' ' 14' ' ' MET . 0.3 OUTLIER -95.46 51.85 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.912 0.863 . . . . 2.64 112.006 -175.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CG ' HD12 ' A' ' 25' ' ' LEU . 73.5 m-85 -100.59 15.07 29.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.753 -1.112 . . . . 2.4 108.284 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 50.3 mtpt -68.23 141.08 56.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.866 -1.061 . . . . 3.27 111.449 -172.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.56 0.54 90.06 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.842 -0.694 . . . . 2.92 112.286 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.51 ' CG ' ' HG3' ' B' ' 88' ' ' ARG . 29.8 mm-40 -123.5 174.69 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 3.84 110.999 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -131.05 163.65 27.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.442 -0.947 . . . . 2.43 108.442 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' O ' HD11 ' A' ' 83' ' ' LEU . 56.5 tp -55.78 -49.42 73.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.759 0.314 . . . . 1.15 111.14 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.54 72.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.964 0.357 . . . . 1.23 111.964 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 2.3 109.911 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.85 -43.5 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.159 -0.928 . . . . 1.23 110.718 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 79' ' ' LEU . 9.3 mp -68.28 -30.82 69.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 1.14 110.768 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' B' ' 16' ' ' SER . 3.8 t-20 -63.78 -34.93 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 2.26 111.015 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -7.57 55.73 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.968 0.359 . . . . 2.01 111.968 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.07 24.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.72 0.295 . . . . 1.71 110.554 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 27.5 p -166.27 102.36 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.291 -0.413 . . . . 3.45 110.527 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.529 ' HG3' ' CG ' ' B' ' 77' ' ' GLN . 32.1 mmt180 -137.01 110.55 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 6.16 111.179 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.5 t -114.46 88.33 15.57 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.15 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.06 71.86 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.471 2.114 . . . . 4.64 111.058 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.54 91.3 2.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.441 -0.8 . . . . 5.08 110.303 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.526 -0.761 . . . . 4.17 110.401 -178.103 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.528 ' HG2' ' CD ' ' B' ' 73' ' ' GLU . 26.4 ptm . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.561 0.219 . . . . 6.76 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.404 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 23.2 mmt -76.23 148.02 37.94 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.286 0.565 . . . . 5.27 110.367 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.474 ' HA ' ' ND2' ' A' ' 84' ' ' ASN . 15.8 m -89.54 12.11 17.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.745 -0.661 . . . . 2.42 110.57 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.7 78.62 0.28 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.097 -0.956 . . . . 1.65 111.36 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -74.35 166.16 23.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 1.73 109.48 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -54.94 -53.81 50.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 2.61 111.053 -173.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.42 -35.98 77.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.447 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.11 -41.15 82.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.0 0.429 . . . . 1.54 110.596 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.88 -51.95 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.635 . . . . 1.12 110.252 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.83 67.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.705 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 1.08 111.076 177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.83 -37.23 86.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.486 -0.324 . . . . 1.17 111.081 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.18 -52.39 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 1.05 111.007 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.96 -29.99 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 121.01 -0.276 . . . . 0.23 110.945 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.54 -43.64 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.705 -0.48 . . . . 1.58 109.705 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.522 ' CE2' HD12 ' B' ' 33' ' ' ILE . 43.3 t80 -61.69 -46.3 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 2.15 110.534 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.24 -38.47 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.8 0.334 . . . . 2.14 110.357 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.2 m -63.43 -40.24 96.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 1.79 110.414 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 24.7 m -64.37 -37.41 87.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.538 -0.301 . . . . 1.45 110.981 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.522 HD12 ' CE2' ' B' ' 29' ' ' TYR . 63.9 mt -60.75 -48.82 87.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.3 -0.409 . . . . 1.08 111.102 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.71 -23.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.47 110.854 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.4 -46.46 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.474 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' B' ' 32' ' ' SER . 20.7 ptmt -90.0 10.56 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 2.64 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 39.98 51.23 2.54 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.678 -1.146 . . . . 3.07 112.297 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -90.29 -29.15 18.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.381 0.61 . . . . 2.11 109.806 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.482 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.3 tt -86.23 160.95 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.156 -0.929 . . . . 1.11 110.095 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.9 t -76.65 158.73 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.105 -0.331 . . . . 2.24 110.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.71 -44.97 70.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.688 0.28 . . . . 2.19 111.128 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.67 -52.23 64.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 2.29 110.8 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.4 84.06 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.42 112.681 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.11 97.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.766 0.317 . . . . 1.15 110.618 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -65.88 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 1.84 110.627 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 11.9 m -58.5 -43.47 89.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 1.26 110.243 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.7 -27.77 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.13 111.372 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -68.44 -57.29 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.646 -0.252 . . . . 0.53 110.74 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.46 -34.78 71.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.89 0.376 . . . . 0.36 110.51 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -39.71 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 1.13 110.244 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 9.1 ttm -67.63 -38.2 83.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.17 110.776 -177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.03 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 1.99 109.755 174.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.9 m -69.95 -42.76 72.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.266 -0.879 . . . . 1.54 111.071 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 76.0 mt -58.2 -47.23 87.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.243 0.544 . . . . 1.12 109.933 176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.517 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -62.31 -43.03 99.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.811 . . . . 1.05 110.989 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.9 -39.08 90.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 2.66 110.934 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.32 -51.17 55.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 1.06 111.814 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 62.6 m-85 -84.08 -13.56 52.73 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 2.17 112.022 -175.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 52.09 5.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.912 -0.661 . . . . 0.43 112.891 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.63 ' HD2' ' CD1' ' B' ' 60' ' ' PHE . 4.7 p90 -150.29 166.6 29.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.691 -0.485 . . . . 2.14 109.691 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -100.18 157.81 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.244 -0.28 . . . . 2.33 110.244 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -57.87 -57.18 13.89 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 121.327 -0.149 . . . . 4.25 111.351 -177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.63 -15.49 40.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.929 0.395 . . . . 3.19 111.503 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.0 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.575 -0.284 . . . . 1.28 111.157 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.87 -33.99 51.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 0.53 110.58 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -64.59 -30.32 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.006 -0.543 . . . . 2.07 110.695 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.0 -42.74 7.46 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.115 -0.564 . . . . 0.81 111.846 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.81 -47.39 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 1.15 110.633 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 72.5 mt -77.24 3.37 13.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 1.23 110.958 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -29.66 7.56 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.803 -0.919 . . . . 1.24 110.803 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -85.32 -43.65 13.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 3.53 110.282 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -79.52 150.66 31.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.93 -0.577 . . . . 2.17 109.608 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.528 ' CD ' ' HG2' ' B' ' 14' ' ' MET . 0.3 OUTLIER -95.63 51.95 1.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.886 0.85 . . . . 2.64 111.972 -175.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -100.57 14.9 29.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.678 -1.146 . . . . 2.4 108.266 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 69' ' ' LEU . 50.4 mtpt -68.19 141.19 56.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.863 -1.062 . . . . 3.27 111.333 -172.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.75 0.33 90.04 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.904 -0.665 . . . . 2.92 112.323 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.529 ' CG ' ' HG3' ' A' ' 88' ' ' ARG . 28.6 mm-40 -123.54 174.66 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.296 0.569 . . . . 3.84 110.871 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -130.82 163.71 26.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.423 -0.954 . . . . 2.43 108.423 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.494 ' O ' HD11 ' B' ' 83' ' ' LEU . 56.6 tp -55.75 -49.48 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 1.15 111.084 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.934 0.346 . . . . 1.23 111.934 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.41 -35.77 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.361 0.601 . . . . 2.3 109.869 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.59 -43.56 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.274 -0.876 . . . . 1.22 110.616 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.494 HD11 ' O ' ' B' ' 79' ' ' LEU . 9.4 mp -68.27 -30.88 70.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 1.14 110.759 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 16' ' ' SER . 3.7 t-20 -63.68 -34.96 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 2.26 110.99 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 p -77.96 -4.86 49.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.912 0.338 . . . . 2.01 111.912 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.24 152.93 22.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 1.7 110.37 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.421 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 29.0 p -165.97 102.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.164 -0.471 . . . . 3.46 110.407 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.51 ' HG3' ' CG ' ' A' ' 77' ' ' GLN . 32.2 mmt180 -137.1 110.5 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 6.17 111.228 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.0 t -114.37 88.19 15.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 3.58 110.216 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.02 71.72 6.52 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.49 2.127 . . . . 4.64 111.147 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -74.5 91.01 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.44 -0.8 . . . . 5.08 110.38 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.454 -0.794 . . . . 4.17 110.495 -178.01 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.53 -0.174 . . . . 6.77 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 59.2 mtm 63.97 -70.18 0.08 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.988 0.915 . . . . 5.28 110.685 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 p -76.56 89.24 3.29 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.038 -0.726 . . . . 2.41 109.038 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.22 104.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.056 0.848 . . . . 1.65 111.802 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 p -80.21 173.77 12.27 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.735 -0.666 . . . . 1.73 110.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.05 -48.64 70.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.396 -0.366 . . . . 2.61 111.629 -175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.39 -34.63 76.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.582 -0.281 . . . . 1.57 111.333 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 51.5 mt-10 -67.51 -44.27 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 1.54 110.768 -178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.4 mt -65.06 -50.26 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 1.12 110.497 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.76 73.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.99 110.867 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.6 89.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.651 -0.704 . . . . 1.08 111.174 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.96 -33.46 61.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 1.17 110.852 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.86 -50.91 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.997 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 33.0 m -67.46 -30.18 48.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.844 0.354 . . . . 0.24 110.359 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.33 -42.44 96.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 1.59 109.554 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.634 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 37.1 t80 -62.65 -51.85 65.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.006 -0.543 . . . . 2.15 110.877 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 18.4 m-85 -61.87 -41.66 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.59 -0.277 . . . . 2.13 111.652 -177.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 p -67.94 -31.85 71.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 1.79 110.694 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -66.37 -41.4 89.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 1.45 110.025 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.5 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 61.8 mt -56.68 -50.89 72.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.95 -0.568 . . . . 1.08 111.058 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.5 m -73.11 -27.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.469 -0.332 . . . . 0.47 111.277 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.83 -44.39 93.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.136 0.494 . . . . 2.22 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -94.83 4.75 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 2.64 110.881 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt 52.87 55.93 8.3 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 114.991 -1.004 . . . . 3.07 110.886 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -88.66 -8.65 54.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.254 1.025 . . . . 2.12 108.363 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.1 tt -122.99 153.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.739 -1.119 . . . . 1.11 110.555 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 m -67.82 141.98 56.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 2.23 109.881 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.46 -25.04 59.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.398 -0.819 . . . . 2.19 112.429 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.77 -38.61 73.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.006 0.431 . . . . 2.3 110.199 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.97 -27.74 57.82 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.444 -0.662 . . . . 0.42 111.444 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.44 98.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.981 0.419 . . . . 1.15 110.438 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.99 -40.37 93.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.525 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.901 -0.59 . . . . 1.26 110.499 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.86 -23.98 62.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.504 -0.316 . . . . 1.13 111.09 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.18 -52.72 31.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.597 0.237 . . . . 0.53 110.733 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.32 -36.03 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.964 0.411 . . . . 0.36 110.242 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.17 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.13 110.637 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 21.6 tpp -54.42 -50.0 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 1.17 111.037 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.953 -0.567 . . . . 1.99 110.462 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.4 m -63.47 -45.93 88.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.179 -0.464 . . . . 1.54 111.05 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' O ' ' HD2' ' A' ' 58' ' ' PHE . 65.4 mt -60.72 -50.12 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.164 0.507 . . . . 1.12 110.06 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 20.3 m -60.74 -48.14 83.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.489 -0.778 . . . . 1.05 110.933 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.39 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 2.66 111.143 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.446 ' HB3' HD13 ' B' ' 39' ' ' ILE . . . -61.9 -34.35 75.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.659 . . . . 1.06 111.715 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.659 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 65.9 m-85 -100.79 -2.24 32.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.812 0.339 . . . . 2.18 111.616 -177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.71 41.76 8.71 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.837 -0.696 . . . . 0.43 113.454 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 55' ' ' SER . 45.1 p90 -145.34 161.52 39.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.901 0.35 . . . . 2.14 110.108 174.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -101.2 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.019 -0.363 . . . . 2.33 110.019 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.11 -47.27 68.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.649 0.261 . . . . 4.25 111.572 -177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.07 -13.41 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.729 0.27 . . . . 3.2 111.729 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.61 -17.41 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.708 -0.224 . . . . 1.28 111.581 -176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.71 -29.41 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.042 0.448 . . . . 0.54 110.297 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 m -62.15 -39.29 92.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.799 -0.637 . . . . 2.08 110.288 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.91 -39.86 53.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.85 -0.69 . . . . 0.82 111.91 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -59.19 -53.85 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.237 -0.282 . . . . 1.16 110.237 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.8 -3.11 17.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 1.23 111.443 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.57 -34.01 29.56 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.687 -0.768 . . . . 1.25 111.229 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.32 -39.42 10.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 3.53 110.219 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.503 ' OG ' ' HG2' ' A' ' 21' ' ' GLU . 31.0 m -61.3 141.89 57.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 2.16 110.022 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' B' ' 88' ' ' ARG . 12.7 pt-20 -85.48 0.55 52.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.071 -0.513 . . . . 2.64 111.36 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -82.1 56.84 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 2.4 110.211 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -112.42 148.78 33.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.331 -0.85 . . . . 3.27 109.87 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.6 -66.28 3.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.695 -0.764 . . . . 2.92 111.363 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.51 138.88 55.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.047 0.451 . . . . 3.84 110.577 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.33 161.97 14.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.975 -0.75 . . . . 2.43 108.975 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 58.8 tp -52.61 -49.81 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.55 0.574 . . . . 1.15 112.55 -171.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.69 -27.24 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.122 0.415 . . . . 1.23 112.122 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.13 -36.37 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.236 -0.653 . . . . 2.3 109.236 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 77.1 mt -61.11 -49.58 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.104 -0.953 . . . . 1.23 110.203 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.72 -32.33 73.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 1.14 110.821 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.26 -21.64 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 2.26 110.601 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 m -82.05 -10.41 59.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 2.01 110.745 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.41 175.3 10.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 1.71 110.388 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -148.6 135.87 20.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.952 0.406 . . . . 3.45 110.698 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' HB3' ' HB2' ' B' ' 73' ' ' GLU . 16.3 ptt180 -75.03 141.41 43.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 6.16 110.758 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.48 79.77 37.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.153 0.502 . . . . 3.58 109.691 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -92.61 176.98 1.6 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.148 2.566 . . . . 4.64 112.298 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 58.37 36.47 25.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.621 . . . . 5.08 110.912 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.356 -0.83 . . . . 4.17 109.139 179.584 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.547 -0.168 . . . . 6.76 110.547 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 59.0 mtm 64.18 -70.38 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.864 0.866 . . . . 5.27 110.703 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -76.53 89.47 3.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.971 -0.751 . . . . 2.42 108.971 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.49 104.85 0.05 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 124.002 0.814 . . . . 1.65 111.725 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 32.4 p -80.33 173.97 12.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.567 -0.742 . . . . 1.73 110.414 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.31 -48.66 71.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.347 -0.388 . . . . 2.61 111.494 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -34.5 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.627 -0.261 . . . . 1.58 111.399 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.504 ' HG2' ' OG ' ' B' ' 72' ' ' SER . 51.5 mt-10 -67.56 -44.11 79.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.968 0.413 . . . . 1.54 110.874 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 61.0 mt -65.17 -50.38 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 1.12 110.437 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.897 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.66 90.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 1.08 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -33.59 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.38 -0.373 . . . . 1.17 110.918 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.79 -50.88 75.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 1.05 111.026 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.426 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 33.0 m -67.47 -30.3 48.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.23 110.281 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.22 -42.36 96.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 1.58 109.664 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.628 ' HE1' ' CE2' ' B' ' 29' ' ' TYR . 37.2 t80 -62.68 -51.84 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 2.15 110.914 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.631 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 18.4 m-85 -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.458 -0.337 . . . . 2.14 111.648 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.3 p -67.81 -31.98 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 1.79 110.733 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.5 t -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 1.45 109.984 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.509 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 61.9 mt -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.97 -0.559 . . . . 1.08 111.08 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.21 -27.36 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.32 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.02 -44.14 93.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 2.22 110.82 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -94.82 4.45 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.158 0.504 . . . . 2.64 110.927 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 53.02 55.89 8.3 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.96 -1.018 . . . . 3.07 110.868 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.56 -8.6 54.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.257 1.027 . . . . 2.11 108.338 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.509 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.1 tt -122.94 153.15 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.711 -1.131 . . . . 1.11 110.528 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 42.8 m -67.59 142.0 56.61 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.139 -0.482 . . . . 2.24 109.88 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.73 -24.94 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.364 -0.835 . . . . 2.19 112.518 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.82 -38.9 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 2.29 110.034 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.61 -27.62 58.78 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.47 -0.652 . . . . 0.42 111.47 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.4 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 1.15 110.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.02 -40.51 93.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.577 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -61.7 -38.52 88.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 1.26 110.472 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.93 -23.84 62.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 1.13 111.245 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.06 -53.01 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.673 0.273 . . . . 0.53 110.67 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.36 110.226 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.02 79.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.13 110.649 177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.426 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 21.9 tpp -54.55 -50.17 68.56 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.958 -0.564 . . . . 1.17 110.992 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -67.75 -36.24 80.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.589 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.1 m -63.64 -45.89 88.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 1.54 111.072 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.405 ' O ' ' HD2' ' B' ' 58' ' ' PHE . 64.8 mt -60.76 -50.18 81.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 1.12 110.034 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.441 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 20.4 m -60.65 -48.08 83.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.378 -0.828 . . . . 1.05 110.907 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.5 -37.48 81.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 2.66 111.119 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 39' ' ' ILE . . . -61.9 -34.4 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.71 -0.677 . . . . 1.06 111.769 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 66.2 m-85 -100.62 -2.29 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 2.17 111.56 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.73 42.14 8.47 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.74 -0.743 . . . . 0.43 113.475 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.441 ' O ' ' HB3' ' B' ' 55' ' ' SER . 45.1 p90 -145.76 161.6 39.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.923 0.362 . . . . 2.14 110.076 174.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.25 169.16 9.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.048 -0.353 . . . . 2.33 110.048 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -53.21 -47.05 69.24 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.681 0.277 . . . . 4.25 111.577 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.26 -13.31 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.756 0.312 . . . . 3.19 111.721 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.78 -17.29 51.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.607 -0.27 . . . . 1.28 111.628 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.77 -29.38 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.002 0.43 . . . . 0.53 110.319 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.6 m -62.29 -39.01 91.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.869 -0.605 . . . . 2.07 110.375 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.1 -39.9 52.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.936 -0.65 . . . . 0.81 111.744 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.29 -53.61 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.28 -0.267 . . . . 1.15 110.28 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.85 -3.24 18.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 1.23 111.526 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.32 -34.26 29.71 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.16 -0.776 . . . . 1.24 111.16 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.06 -39.51 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.221 -0.289 . . . . 3.53 110.221 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.504 ' OG ' ' HG2' ' B' ' 21' ' ' GLU . 31.0 m -61.35 142.12 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.466 . . . . 2.17 110.036 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 88' ' ' ARG . 12.8 pt-20 -85.81 0.65 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 2.64 111.28 -175.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -82.13 56.84 3.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.519 0.676 . . . . 2.4 110.242 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -112.36 148.89 33.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.274 -0.875 . . . . 3.27 109.89 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.46 -66.14 3.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 2.92 111.412 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.62 138.81 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 3.84 110.694 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.38 161.93 14.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.922 -0.77 . . . . 2.43 108.922 175.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.427 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 58.9 tp -52.64 -49.85 64.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.495 0.554 . . . . 1.15 112.495 -171.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -27.34 65.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.07 0.396 . . . . 1.23 112.07 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.436 0.636 . . . . 2.3 109.306 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 77.0 mt -61.04 -49.67 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 1.22 110.23 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.64 -32.39 74.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 1.14 110.877 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.14 -21.68 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 2.26 110.62 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.9 m -82.29 -10.04 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 2.01 110.851 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.6 175.35 10.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.39 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 53.9 m -148.58 136.0 20.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.751 0.31 . . . . 3.46 110.658 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.445 ' HB3' ' HB2' ' A' ' 73' ' ' GLU . 16.3 ptt180 -75.25 141.44 43.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 6.17 110.798 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -121.57 79.87 38.69 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.715 -0.476 . . . . 3.58 109.715 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -92.79 176.85 1.55 Allowed 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.161 2.574 . . . . 4.64 112.138 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 58.51 36.4 25.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 5.08 110.935 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.324 -0.846 . . . . 4.17 109.183 179.523 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HA ' ' O ' ' B' ' 84' ' ' ASN . 87.5 mtp . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.857 0.36 . . . . 6.77 110.751 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.0 mtt -70.81 -79.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 5.28 110.916 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -145.57 168.61 20.22 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.039 0.447 . . . . 2.41 110.102 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.2 73.51 1.52 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.315 -0.857 . . . . 1.65 109.311 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -72.54 157.43 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.59 -0.732 . . . . 1.73 110.365 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.2 -48.77 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 2.61 111.568 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.04 -38.13 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 1.57 111.457 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.37 -39.16 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.249 0.547 . . . . 1.54 110.376 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.22 -51.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.481 -0.781 . . . . 1.12 110.389 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -33.74 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.99 111.113 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.14 86.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 1.08 111.114 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 79' ' ' LEU . 36.6 mt -73.5 -34.46 65.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.668 0.271 . . . . 1.17 111.128 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.56 -50.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.284 -0.416 . . . . 1.05 110.655 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.28 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.24 110.41 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.3 -49.52 77.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.039 -0.528 . . . . 1.59 110.649 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -62.37 -46.59 87.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 2.15 110.888 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.81 -42.75 99.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.618 0.247 . . . . 2.13 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -64.47 -34.47 78.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.064 0.459 . . . . 1.79 109.958 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -65.48 -40.15 92.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.758 -0.655 . . . . 1.45 110.691 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 53.1 mt -59.35 -49.17 84.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.862 0.363 . . . . 1.08 110.86 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.93 -26.49 19.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.47 110.9 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.31 -46.84 78.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 2.22 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 14.5 ptmm? -87.97 5.56 40.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.217 0.532 . . . . 2.64 110.811 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.17 52.95 10.79 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.938 -1.028 . . . . 3.07 110.804 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 42.5 tt0 -98.57 -13.44 20.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 2.12 110.349 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.2 tt -112.52 151.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 1.11 110.608 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 m -68.79 153.57 43.55 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.009 -0.542 . . . . 2.23 110.485 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.98 -50.5 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.232 0.456 . . . . 2.19 112.232 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.18 -36.73 78.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.378 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -35.97 72.23 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.815 -0.707 . . . . 0.42 111.783 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.75 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 1.15 110.734 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -64.11 -31.85 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.617 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -67.15 -40.62 86.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.63 . . . . 1.26 109.841 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.33 -30.19 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 1.13 111.045 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.18 -58.66 7.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.53 110.995 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.31 -37.34 77.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.04 0.447 . . . . 0.36 110.436 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -36.99 85.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 1.13 111.249 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.407 ' HA ' HD13 ' A' ' 54' ' ' ILE . 27.8 ttm -71.33 -38.42 71.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.352 -0.385 . . . . 1.17 111.902 -173.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.45 -29.1 68.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.393 -0.523 . . . . 1.99 109.62 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.7 -41.28 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.595 . . . . 1.54 110.296 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 51' ' ' MET . 58.9 mt -57.62 -49.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.37 0.605 . . . . 1.12 109.491 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.585 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.9 m -59.17 -45.14 91.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 1.05 110.713 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.4 -40.87 98.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.205 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.59 74.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 1.06 112.129 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -103.3 -8.18 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 2.18 111.684 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.97 38.38 19.52 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.037 -0.601 . . . . 0.43 113.462 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.668 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 10.8 p90 -136.82 177.11 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.808 -0.441 . . . . 2.14 109.808 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.53 154.46 33.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.836 0.35 . . . . 2.33 110.293 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -61.2 -17.82 55.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.847 -0.615 . . . . 4.25 112.123 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.15 -4.15 58.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.751 0.31 . . . . 3.2 110.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.91 0.27 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.323 . . . . 1.28 111.501 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.42 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.54 111.534 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -66.5 -36.13 81.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 2.08 110.836 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.4 -37.6 92.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.972 -0.633 . . . . 0.82 112.034 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.42 -48.51 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 1.16 110.596 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.66 -37.96 89.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 1.23 111.231 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.22 74.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.924 -0.655 . . . . 1.25 112.849 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.95 -33.39 19.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 3.53 110.836 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 p -82.61 175.35 10.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 2.16 111.127 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -84.95 26.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.117 0.484 . . . . 2.64 110.377 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -112.97 7.0 18.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.459 0.647 . . . . 2.4 109.58 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.21 121.16 12.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.017 -0.992 . . . . 3.27 110.626 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.03 89.76 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.844 -0.616 . . . . 2.92 112.698 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -104.12 138.06 41.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.163 0.506 . . . . 3.84 111.551 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.16 129.97 38.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.158 -1.053 . . . . 2.43 108.158 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 25' ' ' LEU . 63.7 tp -43.43 -50.47 6.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.033 0.753 . . . . 1.15 113.033 -172.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.61 71.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.36 0.504 . . . . 1.23 112.36 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.77 -40.96 98.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.37 0.605 . . . . 2.3 109.523 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.6 mt -62.85 -41.57 93.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.798 -1.092 . . . . 1.23 110.844 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 1.14 110.801 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' B' ' 14' ' ' MET . 3.4 t-20 -68.96 -29.77 68.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.517 -0.31 . . . . 2.26 110.83 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -76.69 -7.87 56.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.853 0.316 . . . . 2.01 111.853 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 161.89 28.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.687 0.279 . . . . 1.71 110.303 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -158.35 145.41 17.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.823 0.344 . . . . 3.45 110.761 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -142.19 162.59 35.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 6.16 109.594 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -99.74 107.6 46.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.349 -0.387 . . . . 3.58 110.161 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.58 66.04 8.58 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.849 2.366 . . . . 4.64 111.699 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.49 137.27 28.4 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.257 -0.883 . . . . 5.08 110.047 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.56 -0.733 . . . . 4.17 110.094 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 87.3 mtp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.704 0.288 . . . . 6.76 110.704 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtt -70.67 -79.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 5.27 110.801 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 m -145.68 168.69 20.09 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 2.42 110.056 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.27 73.55 1.52 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.432 -0.804 . . . . 1.65 109.334 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -72.5 157.29 37.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.548 -0.751 . . . . 1.73 110.519 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.07 -48.92 64.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.26 0.35 . . . . 2.61 111.556 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.99 -38.04 78.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 1.58 111.539 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.36 -39.2 81.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.267 0.556 . . . . 1.54 110.381 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.32 -50.96 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.426 -0.806 . . . . 1.12 110.325 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.94 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.046 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.41 85.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 1.08 111.155 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.437 ' HB3' HD11 ' B' ' 79' ' ' LEU . 37.3 mt -73.1 -34.57 66.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 1.17 111.268 178.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -61.44 -50.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 1.05 110.611 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.29 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.23 110.389 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.32 -49.54 77.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.039 -0.528 . . . . 1.58 110.57 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 2.15 110.839 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.75 -42.72 99.34 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.152 -0.219 . . . . 2.14 110.916 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -64.51 -34.59 78.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.233 0.539 . . . . 1.79 109.938 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.6 t -65.29 -40.2 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.721 -0.672 . . . . 1.45 110.72 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.475 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 53.0 mt -59.3 -49.13 84.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.863 0.363 . . . . 1.08 110.899 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.92 -26.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.249 -0.432 . . . . 0.47 110.924 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.15 -47.06 78.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 2.22 110.434 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.469 ' HG3' ' HB2' ' B' ' 38' ' ' GLU . 14.5 ptmm? -87.81 5.64 39.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.154 0.502 . . . . 2.64 110.833 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.13 53.02 10.74 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.954 -1.021 . . . . 3.07 110.814 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' B' ' 36' ' ' LYS . 42.7 tt0 -98.69 -13.47 20.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.665 . . . . 2.11 110.388 -175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -112.47 151.83 14.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.722 -0.672 . . . . 1.11 110.497 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -68.87 153.52 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.001 -0.545 . . . . 2.24 110.517 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -49.98 -50.58 46.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.182 0.438 . . . . 2.19 112.182 -173.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.1 -36.55 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 2.29 111.41 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.3 -36.12 70.16 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.761 -0.733 . . . . 0.42 111.768 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.55 79.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 1.15 110.704 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -64.37 -31.67 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.679 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -67.3 -40.62 86.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.64 . . . . 1.26 109.777 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.3 -30.12 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 1.13 111.03 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -60.25 -58.5 8.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.432 -0.349 . . . . 0.53 110.982 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.56 -37.29 77.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 121.006 0.432 . . . . 0.36 110.417 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.01 86.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.988 -0.551 . . . . 1.13 111.355 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.416 ' HA ' HD13 ' B' ' 54' ' ' ILE . 27.8 ttm -71.4 -38.32 71.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 1.17 111.941 -173.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -67.23 -29.4 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.0 m -69.65 -41.37 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.54 110.194 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' B' ' 51' ' ' MET . 58.5 mt -57.55 -49.07 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.479 0.656 . . . . 1.12 109.524 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.579 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 16.7 m -59.2 -45.15 91.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.064 -0.971 . . . . 1.05 110.663 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.32 -40.96 98.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 2.66 111.173 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.62 74.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 1.06 112.072 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.34 -8.17 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.766 0.317 . . . . 2.17 111.693 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 38.15 19.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.029 -0.605 . . . . 0.43 113.475 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' B' ' 60' ' ' PHE . 10.8 p90 -136.59 177.03 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.79 -0.448 . . . . 2.14 109.79 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.59 154.41 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.469 -0.332 . . . . 2.33 110.244 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -61.77 -16.93 53.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.895 -0.593 . . . . 4.25 112.103 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.68 -4.04 58.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.846 0.355 . . . . 3.19 110.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.97 0.46 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 1.28 111.427 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.47 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.53 111.477 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -66.48 -36.15 82.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 2.07 110.834 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.79 93.13 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.927 -0.654 . . . . 0.81 111.909 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.5 mt -71.23 -48.46 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.783 0.325 . . . . 1.15 110.572 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.69 -37.85 88.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.23 111.149 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.6 -29.52 75.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.96 -0.638 . . . . 1.24 112.755 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.56 -33.55 20.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.0 0.428 . . . . 3.53 110.898 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -82.63 175.05 10.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.079 -0.51 . . . . 2.17 111.183 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.7 26.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 2.64 110.372 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -113.02 7.09 17.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.344 0.592 . . . . 2.4 109.573 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 121.29 13.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 3.27 110.528 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.56 -0.15 89.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.697 -0.683 . . . . 2.92 112.857 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -103.9 138.04 41.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.212 0.529 . . . . 3.84 111.657 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.26 130.04 39.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.183 -1.043 . . . . 2.43 108.183 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' B' ' 25' ' ' LEU . 63.7 tp -43.6 -50.36 7.36 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.038 0.755 . . . . 1.15 113.038 -172.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.66 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.331 0.493 . . . . 1.23 112.331 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.67 -41.15 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.423 0.63 . . . . 2.3 109.53 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.72 -41.37 92.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.794 -1.094 . . . . 1.22 111.022 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.53 -31.58 67.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.974 -0.557 . . . . 1.14 110.795 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.469 ' O ' ' HA ' ' A' ' 14' ' ' MET . 3.5 t-20 -68.84 -29.74 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.565 -0.289 . . . . 2.26 110.699 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -77.69 -5.8 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.755 0.28 . . . . 2.01 111.755 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.92 161.93 27.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.108 -0.33 . . . . 1.7 110.108 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -158.36 145.41 17.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 3.46 110.769 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -142.22 162.65 34.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.909 -0.587 . . . . 6.17 109.651 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.88 107.62 47.45 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.36 -0.382 . . . . 3.58 110.184 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.61 65.85 8.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.766 2.31 . . . . 4.64 111.764 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.24 137.06 28.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.245 -0.889 . . . . 5.08 110.058 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 15.1 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.815 -0.612 . . . . 4.17 110.205 178.191 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.45 ' SD ' ' HB2' ' B' ' 87' ' ' SER . 66.0 mtt . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.573 0.225 . . . . 6.77 110.579 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -91.87 -40.86 10.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.807 0.337 . . . . 5.28 111.28 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 15' ' ' MET . 59.8 m 72.2 -9.75 0.98 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.758 0.823 . . . . 2.41 111.546 -176.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 15' ' ' MET . . . 62.85 75.53 0.4 Allowed 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.55 -0.75 . . . . 1.65 111.191 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -80.16 163.24 24.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.007 -0.542 . . . . 1.73 109.851 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' HE2' ' O ' ' B' ' 38' ' ' GLU . 64.8 mttp -52.64 -54.8 28.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.237 0.336 . . . . 2.61 111.805 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.94 -34.78 76.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 1.57 111.691 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.7 -43.43 76.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 1.54 110.47 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -67.18 -46.77 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.409 -0.814 . . . . 1.12 110.441 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 0.99 110.827 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.23 85.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 1.08 110.928 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 -35.9 63.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.233 -0.44 . . . . 1.17 110.713 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.7 mt -63.87 -48.68 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.822 -0.627 . . . . 1.05 110.924 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.3 -32.73 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 121.014 -0.275 . . . . 0.24 110.639 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -62.08 -43.12 99.52 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.945 0.402 . . . . 1.59 110.098 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.656 ' HE2' ' CE1' ' A' ' 29' ' ' TYR . 48.6 t80 -58.55 -53.75 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.816 -0.629 . . . . 2.15 110.874 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 22.7 m-85 -61.24 -42.74 99.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.373 -0.376 . . . . 2.13 110.741 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -60.84 -39.71 90.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.1 -0.5 . . . . 1.79 110.469 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 10.2 t -73.85 -21.76 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.62 -0.264 . . . . 1.45 110.938 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.492 HD12 ' CE2' ' A' ' 29' ' ' TYR . 60.4 mt -67.97 -52.56 37.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.926 0.394 . . . . 1.08 110.043 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.2 m -72.14 -25.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.47 110.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.63 -50.91 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 2.22 111.066 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.3 pttm -104.76 25.64 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 2.64 111.457 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.87 62.01 1.34 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.822 -1.081 . . . . 3.07 112.804 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.473 ' O ' ' HE2' ' B' ' 19' ' ' LYS . 22.1 mm-40 -97.28 -2.78 41.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.603 -0.726 . . . . 2.12 110.05 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 tt -131.84 155.08 41.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.313 -0.858 . . . . 1.11 109.539 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -81.23 169.06 17.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.679 0.276 . . . . 2.23 110.89 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 1.5 mp0 -51.39 -57.29 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.516 0.726 . . . . 2.19 112.17 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.72 -35.02 78.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 2.3 111.251 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.49 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -64.68 -41.18 97.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.727 -0.749 . . . . 0.42 111.663 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.55 75.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.077 0.465 . . . . 1.15 110.324 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.25 -46.01 83.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.422 -0.808 . . . . 1.84 111.35 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 p -70.54 -35.29 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.928 -0.309 . . . . 1.26 110.538 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 71.9 mt -64.39 -25.54 68.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.645 0.259 . . . . 1.13 110.81 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.91 -50.91 60.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.604 -0.271 . . . . 0.53 111.172 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.02 -34.12 68.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.012 0.434 . . . . 0.36 110.106 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.5 -28.6 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 1.13 110.541 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.408 ' HE2' ' HB2' ' A' ' 30' ' ' PHE . 14.4 tpp -66.02 -48.42 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.19 0.519 . . . . 1.17 110.402 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.59 -35.35 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.595 -0.729 . . . . 1.99 109.805 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.04 -60.93 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.646 -0.706 . . . . 1.54 111.251 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.2 mt -54.71 -44.96 72.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.976 0.417 . . . . 1.12 110.753 -177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -60.98 -53.32 58.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 1.05 110.926 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.26 -45.24 81.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 2.66 111.575 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 1.06 111.736 -176.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.592 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 42.7 m-85 -84.1 -20.35 32.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.792 0.33 . . . . 2.18 111.37 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 37.55 6.32 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.851 -0.69 . . . . 0.43 113.219 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.21 158.56 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.865 -0.42 . . . . 2.14 109.865 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -91.29 142.96 27.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.05 0.452 . . . . 2.33 110.392 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -63.83 -20.3 65.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.606 -0.725 . . . . 4.25 110.876 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.41 -2.62 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 3.2 110.923 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.24 2.85 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.591 -0.277 . . . . 1.28 111.559 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.5 -39.07 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.309 -0.405 . . . . 0.54 111.783 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 t -66.51 -33.14 75.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.403 . . . . 2.08 110.432 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.92 -46.38 82.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.921 -0.657 . . . . 0.82 111.733 176.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.07 -47.32 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 1.16 110.429 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . 92.9 mt -67.34 -21.13 65.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.23 111.586 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.19 -29.29 28.4 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.885 -0.674 . . . . 1.25 112.097 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 97.5 mttt -76.74 -47.22 22.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 3.53 110.289 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -75.74 154.0 36.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.982 -0.554 . . . . 2.16 110.619 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -76.03 20.34 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.553 -0.294 . . . . 2.64 111.791 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.623 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 60.6 m-85 -81.89 -17.42 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.861 -0.422 . . . . 2.4 109.861 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 58.22 26.54 13.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.374 -0.83 . . . . 3.27 112.32 171.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.455 ' HA2' ' HB3' ' A' ' 69' ' ' LEU . . . 64.42 27.96 72.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 2.92 112.897 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -79.11 145.41 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.859 0.361 . . . . 3.84 110.157 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -63.65 132.49 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 2.43 110.266 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.512 ' O ' HD11 ' A' ' 83' ' ' LEU . 51.9 tp -54.17 -35.93 62.84 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.36 -0.836 . . . . 1.15 111.245 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.64 78.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 1.23 111.287 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.02 -41.93 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.211 -0.663 . . . . 2.3 109.211 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.19 -45.75 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.863 -1.062 . . . . 1.23 111.219 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.512 HD11 ' O ' ' A' ' 79' ' ' LEU . 7.0 mp -68.31 -30.11 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 1.14 111.399 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -71.48 -22.14 61.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 2.26 110.041 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.5 t -82.96 -10.93 58.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 2.01 110.566 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.6 53.83 2.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.41 0.624 . . . . 1.71 110.327 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.464 ' HB2' ' SD ' ' B' ' 14' ' ' MET . 3.8 p -79.01 90.79 4.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.572 -0.74 . . . . 3.45 111.337 -177.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -82.07 153.7 25.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.876 -0.602 . . . . 6.16 110.944 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -97.7 129.38 31.58 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.794 -0.639 . . . . 3.58 109.58 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.17 119.87 7.38 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.865 2.377 . . . . 4.64 112.673 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.57 162.0 14.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.051 -0.522 . . . . 5.08 109.907 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.616 -0.706 . . . . 4.17 109.265 179.124 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 87' ' ' SER . 66.1 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.668 0.27 . . . . 6.76 110.572 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.44 ' C ' ' H ' ' B' ' 17' ' ' ALA . 0.8 OUTLIER -91.79 -40.9 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.731 0.301 . . . . 5.27 111.287 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' B' ' 15' ' ' MET . 63.1 m 72.12 -9.46 1.0 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.338 -0.846 . . . . 2.42 111.602 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' B' ' 15' ' ' MET . . . 62.68 75.63 0.39 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.533 -0.758 . . . . 1.65 111.15 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -80.21 163.05 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.877 -0.601 . . . . 1.73 109.9 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 38' ' ' GLU . 64.7 mttp -52.53 -54.73 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.179 0.299 . . . . 2.61 111.783 -175.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.358 . . . . 1.58 111.738 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.9 -43.34 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.201 0.524 . . . . 1.54 110.458 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.0 -46.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.463 -0.79 . . . . 1.12 110.425 178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -35.74 72.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.912 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.24 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 1.08 110.889 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.7 mt -74.28 -35.79 63.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.892 0.377 . . . . 1.17 110.666 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.08 -48.48 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 1.05 110.878 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.33 -32.81 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 0.23 110.624 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.04 -43.08 99.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.009 0.433 . . . . 1.58 110.085 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.664 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 48.1 t80 -58.72 -53.71 55.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.75 -0.659 . . . . 2.15 110.766 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.405 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 22.6 m-85 -61.23 -42.65 98.98 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.436 -0.347 . . . . 2.14 110.802 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -60.89 -39.72 90.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 1.79 110.47 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.431 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 10.7 t -73.81 -21.86 60.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.646 -0.252 . . . . 1.45 110.879 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.494 HD12 ' CE2' ' B' ' 29' ' ' TYR . 60.6 mt -67.94 -52.43 39.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 1.08 110.012 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.09 -25.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.47 110.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.59 -50.86 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.268 -0.878 . . . . 2.22 111.104 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' B' ' 32' ' ' SER . 18.4 pttm -104.8 25.62 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.221 -0.445 . . . . 2.64 111.486 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.92 62.1 1.33 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.763 -1.108 . . . . 3.07 112.653 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.487 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 21.7 mm-40 -97.28 -2.95 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 2.11 110.067 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.56 155.11 41.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.49 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -81.19 169.06 17.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.661 0.267 . . . . 2.24 111.03 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' B' ' 41' ' ' GLU . 1.6 mp0 -51.45 -57.11 9.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 2.19 112.179 -173.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.75 -35.05 78.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.793 0.33 . . . . 2.29 111.193 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.496 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -64.77 -41.0 97.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.42 111.664 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -38.52 75.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.085 0.469 . . . . 1.15 110.365 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.19 -46.17 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.407 -0.815 . . . . 1.84 111.32 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 31.5 p -70.43 -35.27 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.862 -0.335 . . . . 1.26 110.539 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 70.7 mt -64.43 -25.53 68.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.57 0.224 . . . . 1.13 110.779 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.86 -51.08 59.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.53 111.098 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.98 -34.07 68.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.661 -0.416 . . . . 0.36 110.169 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' B' ' 53' ' ' CYS . . . -68.45 -28.56 67.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 1.13 110.678 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.405 ' HE2' ' HB2' ' B' ' 30' ' ' PHE . 14.6 tpp -66.14 -48.33 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 1.17 110.384 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.61 -35.32 80.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 1.99 109.734 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 50' ' ' ALA . 1.6 t -58.09 -60.84 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.704 -0.68 . . . . 1.54 111.239 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 62.3 mt -54.83 -45.01 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-O 120.978 0.418 . . . . 1.12 110.715 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.96 -53.16 60.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.903 -0.59 . . . . 1.05 111.053 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.34 -45.24 80.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 2.66 111.588 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.17 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 1.06 111.644 -175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.625 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 43.2 m-85 -83.73 -20.37 33.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.416 -0.356 . . . . 2.17 111.497 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.92 37.47 6.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.728 -0.748 . . . . 0.43 113.224 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -136.13 158.74 43.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.893 -0.41 . . . . 2.14 109.893 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -91.41 142.82 27.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.044 0.45 . . . . 2.33 110.39 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.78 -20.2 65.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 4.25 110.864 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.27 -3.21 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 3.19 110.856 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.75 2.84 22.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.525 -0.307 . . . . 1.28 111.491 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.55 -38.96 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.53 111.816 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.3 t -66.64 -32.91 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 2.07 110.518 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' B' ' 71' ' ' LYS . . . -65.98 -46.42 81.43 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.969 -0.634 . . . . 0.81 111.816 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.94 -47.41 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.115 0.484 . . . . 1.15 110.365 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.464 ' HB3' ' HA2' ' B' ' 76' ' ' GLY . 93.0 mt -67.41 -20.95 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.546 -0.752 . . . . 1.23 111.611 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.43 -29.22 27.93 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 1.24 112.08 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 67' ' ' GLY . 97.6 mttt -76.69 -47.35 22.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.912 0.386 . . . . 3.53 110.202 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.406 ' C ' ' H ' ' B' ' 74' ' ' PHE . 16.3 m -75.62 153.96 36.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.984 -0.553 . . . . 2.17 110.648 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.4 ' HB2' ' HE1' ' B' ' 15' ' ' MET . 33.5 mm-40 -76.07 20.39 0.2 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.746 0.308 . . . . 2.64 111.782 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 1.649 ' HE1' ' CE2' ' B' ' 74' ' ' PHE . 60.6 m-85 -81.86 -17.59 46.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.841 -0.429 . . . . 2.4 109.841 175.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 58.21 26.55 13.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.369 -0.832 . . . . 3.27 112.392 171.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.464 ' HA2' ' HB3' ' B' ' 69' ' ' LEU . . . 64.6 27.68 72.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 2.92 112.9 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.83 145.44 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.845 0.355 . . . . 3.84 110.119 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -63.57 132.39 51.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.747 -0.66 . . . . 2.43 110.316 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.507 ' O ' HD11 ' B' ' 83' ' ' LEU . 51.9 tp -54.1 -36.08 62.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.419 -0.81 . . . . 1.15 111.171 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -35.36 77.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 1.23 111.415 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.14 -42.17 80.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.192 -0.67 . . . . 2.3 109.192 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.11 -45.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.787 -1.097 . . . . 1.22 111.191 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.507 HD11 ' O ' ' B' ' 79' ' ' LEU . 7.0 mp -68.2 -30.06 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 1.14 111.418 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.69 -21.9 61.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.318 0.58 . . . . 2.26 110.002 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 34.9 t -83.25 -10.7 58.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.629 -0.714 . . . . 2.01 110.445 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.8 53.79 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.424 0.631 . . . . 1.7 110.291 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.45 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 3.7 p -78.95 90.89 4.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.615 -0.721 . . . . 3.46 111.283 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -82.2 153.28 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 6.17 111.076 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -97.35 129.14 32.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 3.58 109.605 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.33 119.85 7.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.804 2.336 . . . . 4.64 112.706 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.41 162.09 14.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.069 -0.514 . . . . 5.08 110.005 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.447 -0.787 . . . . 4.17 109.379 179.06 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.161 -0.311 . . . . 6.77 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.422 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 91.9 mmm -97.36 148.87 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.731 -0.47 . . . . 5.28 109.731 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -84.24 32.21 0.5 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.229 -0.441 . . . . 2.41 111.217 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.98 79.72 0.21 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.678 -0.692 . . . . 1.65 110.96 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -73.48 159.49 33.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 1.73 110.181 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -54.05 -51.58 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 2.61 111.257 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.62 -38.54 81.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.768 -0.651 . . . . 1.57 111.461 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.61 -46.99 83.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.138 0.494 . . . . 1.54 110.493 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.76 -49.74 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.61 -0.723 . . . . 1.12 110.964 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.21 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 0.99 110.984 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.55 97.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 1.08 110.922 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.505 HD12 ' CG ' ' A' ' 74' ' ' PHE . 87.5 mt -70.11 -35.65 74.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.454 . . . . 1.17 110.698 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.65 -50.93 75.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 1.05 111.029 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.19 -30.76 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.24 110.546 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.0 -42.91 99.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.138 -0.483 . . . . 1.59 110.495 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' CE2' HD12 ' A' ' 33' ' ' ILE . 46.0 t80 -62.71 -51.67 66.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 2.15 110.789 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.618 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 17.9 m-85 -60.82 -44.1 97.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.369 . . . . 2.13 111.467 -177.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 51.6 p -65.78 -26.24 67.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.61 0.243 . . . . 1.79 110.844 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -74.3 -31.47 62.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 1.45 110.798 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.477 HD12 ' CE2' ' A' ' 29' ' ' TYR . 29.5 mt -68.9 -45.28 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 1.08 110.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.11 -16.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.839 -0.618 . . . . 0.47 111.219 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.8 tp10 -67.03 -49.74 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 2.22 110.29 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.35 4.84 51.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 2.64 111.238 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 58.1 61.94 2.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.848 -1.069 . . . . 3.07 111.326 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.37 -5.36 20.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 2.12 111.268 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.431 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -107.7 162.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.95 -0.568 . . . . 1.11 110.162 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -67.47 158.67 31.29 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.051 0.219 . . . . 2.23 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.94 -52.27 65.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.757 0.313 . . . . 2.19 111.771 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.58 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.048 0.452 . . . . 2.3 110.566 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -41.05 90.44 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 0.42 111.911 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.42 97.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.439 . . . . 1.15 110.635 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.02 -40.58 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.687 -0.688 . . . . 1.84 110.719 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -64.52 -32.85 74.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.043 -0.526 . . . . 1.26 110.817 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -71.64 -23.8 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.491 -0.322 . . . . 1.13 110.929 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.88 -51.74 30.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.555 -0.293 . . . . 0.53 110.514 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.31 -36.47 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.36 110.406 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -33.11 74.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.359 -0.382 . . . . 1.13 110.632 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.9 tpp -57.67 -47.37 82.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 1.17 110.662 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.29 -42.86 99.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.869 -0.605 . . . . 1.99 110.429 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.64 -48.94 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 1.54 111.795 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.427 ' O ' ' HD2' ' A' ' 58' ' ' PHE . 45.7 mt -62.47 -50.03 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 1.12 110.743 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 25.9 p -63.73 -46.1 86.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.082 -0.508 . . . . 1.05 111.108 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.03 -32.48 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 2.66 110.915 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.51 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.38 -0.373 . . . . 1.06 111.583 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.648 ' HE1' ' CE2' ' A' ' 58' ' ' PHE . 52.2 m-85 -95.06 -14.28 24.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 2.18 111.628 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.86 43.66 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.79 -0.719 . . . . 0.43 113.231 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.596 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 44.1 p90 -148.45 169.73 19.58 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.558 -0.534 . . . . 2.14 109.558 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -114.2 163.79 14.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.395 -0.224 . . . . 2.33 110.395 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -56.77 -43.81 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.453 0.168 . . . . 4.25 111.4 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.64 -9.6 20.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.064 0.394 . . . . 3.2 112.064 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -6.21 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.651 -0.249 . . . . 1.28 111.402 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.8 p -63.84 -36.98 78.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.596 0.236 . . . . 0.54 111.071 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 p -61.9 -42.58 99.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.874 0.368 . . . . 2.08 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -64.26 -48.04 78.69 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.985 -0.626 . . . . 0.82 112.002 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.05 -47.38 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 1.16 110.638 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HB3' ' CA ' ' A' ' 76' ' ' GLY . 59.4 mt -64.88 -34.15 77.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 1.23 111.678 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.58 -29.57 72.89 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 1.25 112.333 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 34.9 mmtp -84.47 -37.53 21.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 3.53 110.759 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 74' ' ' PHE . 96.2 p -61.98 155.45 23.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.16 112.079 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 15' ' ' MET . 14.1 mm-40 -78.1 17.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 2.64 110.416 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' CG ' HD12 ' A' ' 25' ' ' LEU . 78.7 m-85 -109.82 -12.51 14.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 2.4 110.072 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt 59.54 24.76 13.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.498 -0.774 . . . . 3.27 112.843 168.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' CA ' ' HB3' ' A' ' 69' ' ' LEU . . . 70.33 28.2 71.66 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.019 -0.61 . . . . 2.92 113.282 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -81.63 145.14 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.303 -0.629 . . . . 3.84 109.303 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.511 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 38.3 m80 -61.91 135.36 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.66 -0.496 . . . . 2.43 109.66 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' HD11 ' A' ' 83' ' ' LEU . 43.6 tp -53.17 -32.31 47.19 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.259 -0.882 . . . . 1.15 111.46 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.86 69.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 1.23 111.342 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.511 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 4.5 m-20 -62.75 -37.71 87.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.263 0.554 . . . . 2.3 109.93 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.56 -52.73 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.362 -0.835 . . . . 1.23 110.773 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.48 HD11 ' O ' ' A' ' 79' ' ' LEU . 7.4 mp -62.54 -36.08 81.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 1.14 111.308 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.67 -38.06 80.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.312 0.577 . . . . 2.26 109.963 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -78.75 -20.41 50.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.618 . . . . 2.01 111.174 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.72 52.85 0.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.949 0.404 . . . . 1.71 111.404 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -77.29 139.74 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 3.45 110.616 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -114.52 144.98 42.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 6.16 109.784 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 7.4 p -88.01 118.03 69.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.972 0.415 . . . . 3.58 110.801 -177.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 14.5 Cg_exo -70.61 77.08 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.079 2.519 . . . . 4.64 112.916 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -94.21 159.0 15.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.917 -0.583 . . . . 5.08 109.736 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.251 1.177 0 O-C-N 123.595 0.559 . . . . 4.17 110.882 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.083 -0.34 . . . . 6.76 110.083 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.424 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 91.9 mmm -97.24 149.07 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.85 -0.426 . . . . 5.27 109.85 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -84.5 32.27 0.51 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.443 -0.344 . . . . 2.42 111.162 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.89 79.78 0.21 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.707 -0.679 . . . . 1.65 110.942 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -73.63 159.4 33.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.142 -0.481 . . . . 1.73 110.196 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -53.94 -51.58 63.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 2.61 111.218 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.64 -38.59 81.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.58 111.516 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.74 -46.87 83.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.048 0.452 . . . . 1.54 110.466 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 70.5 mt -65.82 -49.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 1.12 110.934 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.14 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.916 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.49 97.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.665 -0.698 . . . . 1.08 110.906 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.494 HD12 ' CG ' ' B' ' 74' ' ' PHE . 87.5 mt -70.18 -35.54 74.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.007 0.432 . . . . 1.17 110.773 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 83.6 mt -63.7 -50.99 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 1.05 111.02 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.02 -30.99 50.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.23 110.554 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.96 -42.8 99.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.111 -0.495 . . . . 1.58 110.474 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' B' ' 33' ' ' ILE . 46.0 t80 -62.86 -51.7 65.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.225 -0.443 . . . . 2.15 110.703 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.61 ' HD1' ' CD2' ' B' ' 30' ' ' PHE . 17.9 m-85 -60.67 -44.19 96.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.468 -0.333 . . . . 2.14 111.54 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 47.8 p -65.79 -26.1 67.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.77 0.319 . . . . 1.79 110.896 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -74.47 -31.49 62.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.795 0.331 . . . . 1.45 110.861 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.474 HD12 ' CE2' ' B' ' 29' ' ' TYR . 29.3 mt -68.83 -45.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.095 0.474 . . . . 1.08 110.373 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.05 -16.13 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.47 111.239 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 31' ' ' SER . 9.6 tp10 -66.98 -49.69 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 2.22 110.266 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.51 5.24 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.271 0.558 . . . . 2.64 111.275 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 57.83 62.15 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 114.832 -1.076 . . . . 3.07 111.288 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.53 -5.48 20.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 2.11 111.312 -176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.433 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.1 tt -107.32 162.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.901 -0.59 . . . . 1.11 110.131 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 14.3 m -67.45 158.44 31.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.722 -0.217 . . . . 2.24 110.938 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.91 -52.3 65.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 2.19 111.758 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.54 -32.81 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 2.29 110.55 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.74 -40.94 89.83 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.796 -0.716 . . . . 0.42 111.877 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.015 0.436 . . . . 1.15 110.59 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.85 -40.79 96.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 1.84 110.826 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -64.64 -32.43 74.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.929 -0.578 . . . . 1.26 110.915 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.86 -23.68 61.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.295 . . . . 1.13 110.954 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.84 -51.87 29.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.54 -0.3 . . . . 0.53 110.538 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.24 -36.48 77.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.36 110.403 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.57 -33.21 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.445 -0.343 . . . . 1.13 110.634 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 17.2 tpp -57.71 -47.35 82.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 1.17 110.618 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.1 -43.06 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.99 110.405 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.52 -48.98 77.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 1.54 111.85 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.429 ' O ' ' HD2' ' B' ' 58' ' ' PHE . 46.3 mt -62.56 -50.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 1.12 110.636 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.557 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 25.3 p -63.68 -46.08 87.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.149 -0.478 . . . . 1.05 111.137 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.98 -32.61 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 2.66 111.017 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.56 89.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 1.06 111.601 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 52.7 m-85 -95.08 -14.16 24.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.469 -0.332 . . . . 2.17 111.601 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 43.19 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.65 -0.786 . . . . 0.43 113.377 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.611 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 44.0 p90 -147.97 169.7 19.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.609 -0.515 . . . . 2.14 109.609 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.11 163.83 14.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.426 -0.212 . . . . 2.33 110.426 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -56.82 -44.01 81.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.47 0.176 . . . . 4.25 111.366 -176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.4 -9.78 20.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.986 0.365 . . . . 3.19 111.986 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.7 -6.25 40.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.736 -0.211 . . . . 1.28 111.444 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.89 -37.1 78.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.684 0.278 . . . . 0.53 110.989 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.0 p -61.77 -42.4 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 2.07 110.922 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' B' ' 71' ' ' LYS . . . -64.44 -47.94 79.0 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.94 -0.647 . . . . 0.81 111.94 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.28 -47.25 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 1.15 110.607 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.482 ' HB3' ' CA ' ' B' ' 76' ' ' GLY . 60.1 mt -64.99 -34.0 77.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 1.23 111.707 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.44 -29.9 73.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 1.24 112.191 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' B' ' 67' ' ' GLY . 35.0 mmtp -84.48 -37.29 21.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.384 . . . . 3.53 110.696 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.433 ' C ' ' H ' ' B' ' 74' ' ' PHE . 97.3 p -62.24 155.21 25.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.662 -0.699 . . . . 2.17 112.153 -175.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 15' ' ' MET . 14.1 mm-40 -77.94 17.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.524 -0.762 . . . . 2.64 110.378 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.494 ' CG ' HD12 ' B' ' 25' ' ' LEU . 78.6 m-85 -109.67 -12.67 14.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.194 -0.457 . . . . 2.4 110.17 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 59.69 24.8 13.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.468 -0.787 . . . . 3.27 112.88 168.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.482 ' CA ' ' HB3' ' B' ' 69' ' ' LEU . . . 70.33 28.1 71.82 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.956 -0.64 . . . . 2.92 113.353 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.74 145.16 30.63 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.272 -0.64 . . . . 3.84 109.272 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.495 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 38.3 m80 -61.8 135.42 57.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.681 -0.488 . . . . 2.43 109.681 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.483 ' O ' HD11 ' B' ' 83' ' ' LEU . 43.8 tp -53.22 -32.23 47.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.256 -0.884 . . . . 1.15 111.418 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.73 69.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.297 -0.41 . . . . 1.23 111.305 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . 0.495 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 4.5 m-20 -62.71 -37.7 87.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.246 0.546 . . . . 2.3 110.014 177.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.62 -52.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.26 -0.882 . . . . 1.22 110.752 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.483 HD11 ' O ' ' B' ' 79' ' ' LEU . 7.4 mp -62.45 -36.15 81.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 1.14 111.196 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.63 -38.08 80.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.271 0.557 . . . . 2.26 109.954 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -19.83 50.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.925 -0.58 . . . . 2.01 111.238 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.05 52.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 1.7 111.387 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.8 m -77.13 140.01 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.309 -0.405 . . . . 3.46 110.518 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -114.88 144.9 42.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.795 -0.446 . . . . 6.17 109.795 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 7.5 p -87.72 118.14 69.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 3.58 110.814 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 14.4 Cg_exo -70.62 77.11 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.066 2.511 . . . . 4.64 112.921 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -94.24 159.02 15.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.0 -0.546 . . . . 5.08 109.718 174.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.153 0 O-C-N 123.605 0.566 . . . . 4.17 110.898 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.555 ' SD ' ' HA ' ' B' ' 89' ' ' VAL . 26.9 ptm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.756 0.312 . . . . 6.77 110.812 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.2 mmt -103.6 1.58 32.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 5.28 110.335 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 15' ' ' MET . 50.0 m 75.21 135.84 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.015 -0.993 . . . . 2.41 110.94 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.48 79.1 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.563 . . . . 1.65 110.894 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -74.13 150.75 40.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.73 110.08 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.79 -46.65 74.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.831 0.678 . . . . 2.61 112.831 -170.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.16 -31.41 72.24 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.014 -0.274 . . . . 1.57 111.137 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.04 -42.36 80.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 1.54 109.495 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.07 -46.53 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.932 -1.031 . . . . 1.12 110.582 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.94 -38.03 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.668 . . . . 0.99 110.896 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.32 92.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 1.08 110.942 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 HD12 ' CG ' ' A' ' 74' ' ' PHE . 48.8 mt -69.0 -37.09 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.502 -0.317 . . . . 1.17 110.889 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.01 -52.4 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 1.05 110.961 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.702 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.0 m -65.65 -32.19 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.842 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.04 -40.33 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 1.59 110.222 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.625 ' HE1' ' CE2' ' A' ' 29' ' ' TYR . 46.8 t80 -63.53 -45.15 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 2.15 110.384 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 15.3 m-30 -59.27 -40.8 87.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 2.13 110.327 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 m -68.03 -28.39 67.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.627 . . . . 1.79 110.584 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 -32.95 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 1.45 110.269 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.44 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 1.08 110.571 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -81.6 -20.67 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.47 110.57 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.52 -51.05 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 2.22 109.737 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -16.7 60.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.41 0.624 . . . . 2.64 110.07 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 56.49 52.48 9.83 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 114.277 -1.328 . . . . 3.07 111.261 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.07 -13.25 27.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.76 0.79 . . . . 2.12 109.038 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.04 149.51 6.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.907 -1.042 . . . . 1.11 109.982 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -83.49 169.15 15.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.48 -0.327 . . . . 2.23 110.43 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.99 -52.27 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.305 0.642 . . . . 2.19 112.639 -172.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.0 -45.34 90.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.816 0.341 . . . . 2.3 111.018 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.67 99.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.848 -0.692 . . . . 0.42 111.955 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.86 87.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.815 0.34 . . . . 1.15 110.626 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -36.71 84.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.159 -0.473 . . . . 1.84 110.696 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 m -62.21 -37.29 84.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 1.26 110.308 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.54 -27.84 62.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 1.13 110.652 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.62 -48.93 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.481 -0.327 . . . . 0.53 110.942 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.08 -38.4 81.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.695 -0.402 . . . . 0.36 110.083 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.0 -32.21 73.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 1.13 110.55 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.702 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.7 tpp -57.54 -49.28 76.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 1.17 110.666 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.73 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 1.99 110.466 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -60.69 -49.73 76.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.444 -0.798 . . . . 1.54 111.09 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.07 -46.67 96.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.369 . . . . 1.12 110.475 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.498 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 41.7 m -57.2 -52.77 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 1.05 111.332 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.34 -28.63 63.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.735 0.303 . . . . 2.66 111.194 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.48 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 1.06 111.229 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.51 -21.5 32.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 2.18 111.036 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.31 42.15 4.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.947 -0.644 . . . . 0.43 113.175 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 24.2 p90 -137.59 155.12 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.104 -0.332 . . . . 2.14 110.104 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.72 145.54 26.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 2.33 110.34 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -65.34 -21.72 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 4.25 110.923 -175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 0.72 55.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.875 0.369 . . . . 3.2 111.03 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.37 0.27 24.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 1.28 111.443 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -60.37 -42.48 91.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.648 -0.251 . . . . 0.54 111.294 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -65.45 -29.74 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.049 0.452 . . . . 2.08 110.048 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.44 39.13 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.759 -0.655 . . . . 0.82 112.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.13 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.411 . . . . 1.16 110.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.2 -3.14 28.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.193 0.521 . . . . 1.23 111.208 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.4 24.89 5.51 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.413 -1.075 . . . . 1.25 110.413 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.12 -64.52 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.217 -0.491 . . . . 3.53 110.425 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.1 m -87.24 -73.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.36 . . . . 2.16 110.708 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' OE1' ' HA ' ' B' ' 87' ' ' SER . 15.0 pt-20 -160.72 -151.76 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.53 -0.545 . . . . 2.64 109.53 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.421 ' CG ' HD12 ' A' ' 25' ' ' LEU . 49.1 m-85 66.39 40.84 3.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.366 -0.975 . . . . 2.4 108.366 -175.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -83.64 76.17 9.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.378 -1.283 . . . . 3.27 111.895 -170.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.59 -47.39 0.93 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.149 -1.024 . . . . 2.92 112.693 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -83.94 138.8 32.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.047 0.451 . . . . 3.84 110.378 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -88.76 179.24 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.768 -0.827 . . . . 2.43 108.768 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 83' ' ' LEU . 29.1 tp -55.84 -47.04 77.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 1.15 110.813 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.34 88.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 1.23 111.65 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.11 -44.22 91.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 2.3 109.605 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.56 -52.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 1.23 111.264 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 79' ' ' LEU . 10.8 mp -65.74 -29.36 69.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 1.14 111.577 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.33 -22.36 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.958 0.409 . . . . 2.26 110.186 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -82.98 -26.82 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 2.01 110.096 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.53 137.35 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 1.71 109.855 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.409 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 50.9 m -152.74 148.98 27.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.046 0.45 . . . . 3.45 111.758 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -141.3 120.16 12.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.713 -0.676 . . . . 6.16 110.128 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.608 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 38.7 t -76.86 123.45 87.46 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.713 . . . . 3.58 110.941 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.24 109.03 0.89 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.743 2.295 . . . . 4.64 111.572 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -142.33 122.27 13.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.265 -0.425 . . . . 5.08 110.419 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.646 -0.692 . . . . 4.17 110.142 178.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.608 ' SD ' ' HA ' ' A' ' 89' ' ' VAL . 27.0 ptm . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.79 0.328 . . . . 6.76 110.792 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' B' ' 16' ' ' SER . 25.1 mmt -103.5 1.43 32.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.572 -0.285 . . . . 5.27 110.355 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' B' ' 15' ' ' MET . 51.0 m 75.37 135.68 0.06 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.304 1.003 . . . . 2.42 110.942 -177.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.35 79.5 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.952 -0.567 . . . . 1.65 110.753 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 150.72 39.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.98 -0.554 . . . . 1.73 110.271 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.72 -46.67 74.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.761 0.652 . . . . 2.61 112.761 -169.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.07 -31.63 72.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.636 0.255 . . . . 1.58 111.152 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.02 -42.33 80.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.49 0.662 . . . . 1.54 109.443 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.2 -46.48 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.951 -1.022 . . . . 1.12 110.565 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.11 69.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.929 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.45 92.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 1.08 111.027 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.422 HD12 ' CG ' ' B' ' 74' ' ' PHE . 49.0 mt -68.94 -37.08 78.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 1.17 110.948 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.97 -52.32 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 1.05 111.009 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.698 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.0 m -65.75 -32.17 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.454 -0.339 . . . . 0.23 110.732 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.97 -40.48 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 1.58 110.282 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.616 ' HE1' ' CE2' ' B' ' 29' ' ' TYR . 46.7 t80 -63.43 -45.13 92.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 2.15 110.408 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.451 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 15.3 m-30 -59.37 -40.65 87.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 2.14 110.318 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 47.0 m -67.99 -28.63 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.879 -0.6 . . . . 1.79 110.542 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.37 -33.02 66.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.42 -0.355 . . . . 1.45 110.271 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.44 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 1.08 110.526 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.44 -20.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.496 -0.32 . . . . 0.47 110.539 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -67.73 -50.76 55.7 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.734 -0.469 . . . . 2.22 109.734 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -16.36 59.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.442 0.639 . . . . 2.64 110.044 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 56.26 52.57 10.0 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 114.296 -1.32 . . . . 3.07 111.195 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.08 -13.33 26.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.768 0.794 . . . . 2.11 109.088 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.0 tt -100.96 149.42 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 1.11 110.04 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -83.44 168.94 16.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.588 -0.278 . . . . 2.24 110.52 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -50.79 -52.05 44.71 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.767 0.654 . . . . 2.19 112.767 -172.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.16 -45.41 91.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.769 0.319 . . . . 2.29 111.019 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.62 99.33 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.835 -0.698 . . . . 0.42 111.978 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.62 88.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.32 . . . . 1.15 110.645 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.113 0.482 . . . . 1.84 110.56 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -62.19 -37.14 84.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.791 -0.64 . . . . 1.26 110.365 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -72.54 -27.81 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.13 110.616 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.55 -49.2 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.459 -0.337 . . . . 0.53 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.86 -38.28 81.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.966 0.412 . . . . 0.36 110.164 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.18 -32.14 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 1.13 110.55 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.698 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.7 tpp -57.57 -49.34 76.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.888 -0.597 . . . . 1.17 110.704 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -64.82 -40.33 95.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 1.99 110.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.6 m -60.58 -49.82 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.541 -0.754 . . . . 1.54 111.125 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.15 -46.7 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 1.12 110.439 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 40.4 m -57.1 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 1.05 111.265 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.28 -28.57 63.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.628 -0.26 . . . . 2.66 111.15 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.44 73.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 1.06 111.253 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.25 -21.67 33.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 2.17 111.073 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.4 42.01 4.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.852 -0.69 . . . . 0.43 113.113 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 24.5 p90 -137.57 155.2 49.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.943 0.372 . . . . 2.14 110.059 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.83 145.4 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.184 -0.462 . . . . 2.33 110.359 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -65.05 -21.47 66.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.511 -0.768 . . . . 4.25 111.114 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 0.68 55.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.929 0.395 . . . . 3.19 110.918 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.25 0.13 24.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.28 111.358 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 p -60.23 -42.38 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.686 -0.234 . . . . 0.53 111.262 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -65.8 -29.22 69.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.179 0.514 . . . . 2.07 110.079 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.56 37.17 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.877 -0.601 . . . . 0.81 112.04 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.2 -41.54 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.392 . . . . 1.15 110.92 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.33 -2.92 27.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.171 0.51 . . . . 1.23 111.274 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.44 24.84 5.51 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.341 -1.104 . . . . 1.24 110.341 173.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -108.91 -64.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.225 -0.487 . . . . 3.53 110.546 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.7 m -87.16 -73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.917 0.389 . . . . 2.17 110.551 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 87' ' ' SER . 15.0 pt-20 -160.5 -151.68 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.987 -0.551 . . . . 2.64 109.618 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.422 ' CG ' HD12 ' B' ' 25' ' ' LEU . 49.2 m-85 66.24 40.96 3.6 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.421 -0.955 . . . . 2.4 108.421 -175.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -83.57 76.07 9.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.377 -1.283 . . . . 3.27 111.972 -170.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.52 -47.16 0.94 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.143 -1.027 . . . . 2.92 112.734 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -84.07 138.7 32.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.974 0.416 . . . . 3.84 110.386 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -88.61 179.3 6.29 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.754 -0.832 . . . . 2.43 108.754 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.432 ' O ' HD11 ' B' ' 83' ' ' LEU . 29.1 tp -55.96 -47.16 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.4 . . . . 1.15 110.702 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.43 89.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.208 -0.451 . . . . 1.23 111.669 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.05 -44.14 91.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.37 0.605 . . . . 2.3 109.652 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.65 -52.95 54.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.962 -1.017 . . . . 1.22 111.234 177.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.432 HD11 ' O ' ' B' ' 79' ' ' LEU . 10.8 mp -65.57 -29.41 70.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.042 -0.526 . . . . 1.14 111.597 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.37 -22.21 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.09 0.471 . . . . 2.26 110.24 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -26.88 30.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 2.01 110.05 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.59 137.27 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 1.7 109.853 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 50.5 m -152.57 149.13 28.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.949 0.404 . . . . 3.46 111.63 -176.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -141.33 120.2 12.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 6.17 110.122 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.555 ' HA ' ' SD ' ' A' ' 14' ' ' MET . 39.4 t -77.15 123.3 87.17 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 3.58 110.896 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.18 108.86 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.709 2.273 . . . . 4.64 111.704 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -141.97 122.34 14.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.174 -0.466 . . . . 5.08 110.368 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.826 -0.607 . . . . 4.17 110.28 178.758 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.4 ttp . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.441 0.163 . . . . 6.77 110.726 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.4 mmt -64.4 -76.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.568 -0.287 . . . . 5.28 110.97 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -161.12 173.44 15.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.993 -0.373 . . . . 2.41 109.993 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.14 86.15 1.69 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.494 -0.775 . . . . 1.65 109.605 177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -72.09 159.11 34.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.802 -0.636 . . . . 1.73 109.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -50.52 -49.35 55.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.581 0.229 . . . . 2.61 111.539 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.05 -33.64 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 1.57 111.466 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' OE2' ' HB3' ' A' ' 72' ' ' SER . 51.1 mt-10 -68.71 -41.09 79.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.22 0.533 . . . . 1.54 110.212 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.6 mt -68.55 -47.17 78.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.544 -0.753 . . . . 1.12 110.538 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.76 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.99 110.839 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.83 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 1.08 110.587 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -65.51 -36.74 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 1.17 111.177 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.59 -51.16 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.875 -0.602 . . . . 1.05 110.934 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.59 -30.78 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.889 -0.324 . . . . 0.24 110.659 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.541 ' OD1' ' HA ' ' A' ' 78' ' ' HIS . 17.5 t-20 -60.93 -45.47 94.56 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.245 -0.434 . . . . 1.59 110.632 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' CE2' HD12 ' A' ' 33' ' ' ILE . 41.2 t80 -60.15 -51.33 70.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 2.15 110.628 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.613 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 21.8 m-85 -61.39 -39.64 91.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.363 -0.381 . . . . 2.13 110.726 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -60.63 -41.9 95.81 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.79 110.364 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.8 t -65.23 -37.14 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.77 0.319 . . . . 1.45 110.41 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.408 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 65.4 mt -63.19 -45.95 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.416 . . . . 1.08 111.035 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.14 -24.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.47 111.273 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.14 -51.24 59.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 2.22 110.086 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -77.84 -11.91 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.558 0.694 . . . . 2.64 110.27 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp 58.25 53.77 6.25 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 114.296 -1.32 . . . . 3.07 111.113 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.77 -26.98 21.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.656 0.741 . . . . 2.12 109.476 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.4 tt -88.95 156.73 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 114.952 -1.022 . . . . 1.11 110.58 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.59 167.33 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.406 -0.361 . . . . 2.23 110.889 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -57.68 -54.38 47.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.625 -0.262 . . . . 2.19 111.52 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.21 -38.82 87.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 2.3 110.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.55 99.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.882 -0.675 . . . . 0.42 112.043 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.64 91.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 1.15 110.674 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.05 -37.02 83.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.907 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -64.15 -41.5 97.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 1.26 110.151 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.75 -29.78 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.13 111.123 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.37 -60.15 3.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.53 110.809 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.6 -36.83 76.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.944 0.402 . . . . 0.36 110.71 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.08 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 1.13 110.679 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.417 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 11.6 ttm -70.76 -38.59 73.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.213 -0.449 . . . . 1.17 110.984 -176.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.64 -40.51 95.13 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.34 -0.615 . . . . 1.99 109.34 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 78.1 m -60.26 -51.56 69.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.354 -0.839 . . . . 1.54 110.791 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 55.1 mt -55.85 -53.23 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.201 0.524 . . . . 1.12 110.449 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.496 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 17.9 m -59.62 -51.55 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.05 111.689 -175.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.56 -35.78 75.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.404 -0.362 . . . . 2.66 111.13 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.8 93.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.447 -0.342 . . . . 1.06 111.363 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.61 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 44.1 m-85 -82.55 -29.49 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.884 0.373 . . . . 2.18 111.294 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.32 37.35 3.83 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.771 -0.728 . . . . 0.43 113.055 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 27.7 p90 -138.98 159.48 42.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.623 -0.51 . . . . 2.14 109.623 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -103.04 154.53 19.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.305 0.574 . . . . 2.33 110.754 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -64.71 -18.49 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.198 -0.91 . . . . 4.25 112.614 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.64 -7.28 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 3.2 110.832 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.98 -2.93 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.838 0.351 . . . . 1.28 111.224 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 p -57.62 -44.41 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.977 -0.556 . . . . 0.54 111.86 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -65.27 -35.56 81.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 2.08 111.004 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.06 -37.0 82.11 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.019 -0.61 . . . . 0.82 111.973 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.1 mt -66.54 -43.99 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 1.16 110.241 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 95.2 mt -63.65 -41.73 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.785 -0.643 . . . . 1.23 110.816 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.27 -25.77 67.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.069 -0.586 . . . . 1.25 113.091 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -94.61 0.11 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.723 -0.281 . . . . 3.53 111.426 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.415 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 21.9 p -119.56 -173.56 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.299 0.481 . . . . 2.16 112.299 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.14 -19.32 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.64 111.458 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.451 ' CD1' HD12 ' A' ' 25' ' ' LEU . 6.3 m-85 -84.81 -28.9 25.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.606 -0.724 . . . . 2.4 111.342 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HG3' ' CD ' ' B' ' 90' ' ' PRO . 74.8 mmtt 69.15 -64.13 0.34 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.642 0.777 . . . . 3.27 112.475 173.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 176.98 34.55 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.792 -0.718 . . . . 2.92 112.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -110.06 169.36 8.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.962 -0.384 . . . . 3.84 109.962 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.555 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 34.5 m80 -84.27 149.6 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.518 -0.31 . . . . 2.43 110.512 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 60.3 tp -55.16 -38.05 67.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.805 -0.634 . . . . 1.15 111.022 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.41 84.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.829 -0.623 . . . . 1.23 112.013 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.555 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 7.0 m-20 -58.08 -40.44 81.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.494 0.664 . . . . 2.3 109.818 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.24 -53.53 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.009 -0.996 . . . . 1.23 111.075 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.24 -33.31 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.164 0.431 . . . . 1.14 112.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -62.26 -40.46 96.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.332 0.587 . . . . 2.26 110.176 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.1 -42.56 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.409 -0.814 . . . . 2.01 110.919 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 145.63 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 1.71 111.496 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.0 p -159.02 127.31 5.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.569 . . . . 3.45 110.324 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -133.75 143.35 48.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.197 -0.456 . . . . 6.16 109.841 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.14 84.45 57.33 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 3.58 110.741 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.2 82.39 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.838 2.358 . . . . 4.64 110.837 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.7 111.18 1.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.909 -0.587 . . . . 5.08 111.676 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.5 p . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.626 -0.702 . . . . 4.17 109.697 177.102 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.9 ttp . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.464 0.173 . . . . 6.76 110.789 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.34 -76.68 0.07 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.567 -0.288 . . . . 5.27 110.998 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.6 m -160.7 173.71 15.03 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.062 -0.348 . . . . 2.42 110.062 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 86.08 1.67 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.552 -0.749 . . . . 1.65 109.636 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.2 t -72.13 159.31 34.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.605 . . . . 1.73 109.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -50.72 -49.16 58.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.639 0.257 . . . . 2.61 111.631 -176.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.1 -33.64 76.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.426 -0.352 . . . . 1.58 111.498 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -68.81 -41.2 78.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.314 0.578 . . . . 1.54 110.18 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.32 -47.31 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 1.12 110.48 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.78 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.82 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.85 74.81 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.959 -0.564 . . . . 1.08 110.584 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' B' ' 74' ' ' PHE . 17.1 mt -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 1.17 111.134 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.48 -51.26 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.001 -0.545 . . . . 1.05 110.956 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.48 -30.86 44.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.987 -0.285 . . . . 0.23 110.66 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . 0.532 ' OD1' ' HA ' ' B' ' 78' ' ' HIS . 17.3 t-20 -60.95 -45.43 94.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.643 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.406 ' CE2' HD12 ' B' ' 33' ' ' ILE . 41.3 t80 -60.13 -51.29 70.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.567 . . . . 2.15 110.673 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.591 ' HD1' ' CD2' ' B' ' 30' ' ' PHE . 21.7 m-85 -61.6 -39.54 91.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 2.14 110.694 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -60.5 -41.99 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.79 110.395 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 14.0 t -65.12 -37.2 86.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 1.45 110.412 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 65.7 mt -63.3 -45.83 97.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.282 -0.417 . . . . 1.08 111.131 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.07 -25.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.65 -0.25 . . . . 0.47 111.219 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.05 -51.29 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 2.22 110.065 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.2 OUTLIER -77.95 -11.66 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.524 0.678 . . . . 2.64 110.216 178.141 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp 57.89 53.88 6.57 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 114.248 -1.342 . . . . 3.07 111.204 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.87 -27.03 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.771 0.796 . . . . 2.11 109.543 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.415 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.5 tt -88.85 156.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.932 -1.031 . . . . 1.11 110.436 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.47 167.09 17.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.4 -0.364 . . . . 2.24 110.997 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.88 -53.79 54.19 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 111.588 0.218 . . . . 2.19 111.588 -173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.53 -38.92 89.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.488 -0.323 . . . . 2.29 110.721 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.15 -43.66 99.13 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.881 -0.676 . . . . 0.42 112.01 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.62 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 1.15 110.623 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.17 -36.84 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.882 -0.599 . . . . 1.84 110.881 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.5 m -64.24 -41.45 96.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 1.26 110.179 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.77 -29.84 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 1.13 111.099 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.32 -60.27 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.454 -0.339 . . . . 0.53 110.729 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.49 -36.92 77.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.97 0.414 . . . . 0.36 110.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.0 -34.89 78.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 1.13 110.801 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.423 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 11.4 ttm -70.66 -38.73 73.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.156 -0.475 . . . . 1.17 111.076 -176.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.58 -40.57 95.22 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.299 -0.63 . . . . 1.99 109.299 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 78.0 m -60.23 -51.55 69.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 1.54 110.814 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.4 ' O ' ' HD2' ' B' ' 58' ' ' PHE . 54.9 mt -55.68 -53.36 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.177 0.513 . . . . 1.12 110.497 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.0 m -59.53 -51.62 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.458 -0.792 . . . . 1.05 111.627 -175.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.63 -35.77 75.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 2.66 111.173 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.95 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 1.06 111.425 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.638 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 44.5 m-85 -81.98 -30.52 31.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 2.17 111.177 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 38.09 3.56 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.741 -0.742 . . . . 0.43 112.861 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.628 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 27.6 p90 -139.53 159.43 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.622 -0.51 . . . . 2.14 109.622 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -103.06 154.48 19.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.13 0.491 . . . . 2.33 110.768 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -64.92 -18.18 65.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.282 -0.872 . . . . 4.25 112.587 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -90.63 -7.58 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.95 0.405 . . . . 3.19 110.75 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.75 -2.8 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.287 -0.415 . . . . 1.28 111.14 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 3.2 p -57.97 -44.42 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.53 111.871 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -65.33 -35.57 81.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.799 0.333 . . . . 2.07 111.036 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.85 -36.67 82.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.929 -0.653 . . . . 0.81 111.957 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.8 mt -66.95 -44.09 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 1.15 110.289 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 95.0 mt -63.5 -41.66 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.735 -0.666 . . . . 1.23 110.857 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.45 -25.66 67.22 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.132 -0.556 . . . . 1.24 112.971 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -94.66 0.37 55.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.711 -0.287 . . . . 3.53 111.563 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.2 p -119.88 -173.5 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.244 0.461 . . . . 2.17 112.244 -174.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.16 -19.34 65.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.687 -0.688 . . . . 2.64 111.502 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.444 ' CD1' HD12 ' B' ' 25' ' ' LEU . 6.3 m-85 -84.76 -28.96 25.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.66 -0.7 . . . . 2.4 111.352 -170.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 69.08 -64.08 0.34 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.878 0.736 . . . . 3.27 112.552 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 176.94 34.55 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.819 -0.705 . . . . 2.92 112.254 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -110.04 169.41 8.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.969 -0.382 . . . . 3.84 109.969 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.553 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 34.5 m80 -84.33 149.48 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.777 0.323 . . . . 2.43 110.476 -177.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.411 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 60.2 tp -55.05 -38.01 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.65 . . . . 1.15 111.155 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.38 84.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.765 -0.652 . . . . 1.23 112.009 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 6.9 m-20 -58.15 -40.67 81.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.58 0.705 . . . . 2.3 109.764 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.92 -53.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.967 -1.015 . . . . 1.22 111.067 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.45 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.109 0.411 . . . . 1.14 112.109 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.23 -40.84 97.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.368 0.604 . . . . 2.26 110.106 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -77.73 -42.39 34.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.417 -0.811 . . . . 2.01 111.039 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.39 145.54 53.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 1.7 111.525 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.5 p -159.08 127.36 5.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.995 -0.548 . . . . 3.46 110.284 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -133.63 143.45 48.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.478 . . . . 6.17 109.861 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.28 84.62 56.22 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.754 0.311 . . . . 3.58 110.711 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.406 ' CD ' ' HG3' ' A' ' 75' ' ' LYS . 6.1 Cg_exo -79.37 82.56 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.94 2.427 . . . . 4.64 110.797 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -60.79 111.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.657 -0.701 . . . . 5.08 111.599 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.409 -0.805 . . . . 4.17 109.601 177.051 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.416 -0.216 . . . . 6.77 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.8 mtt 63.16 20.57 12.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.635 0.731 . . . . 5.28 111.111 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -78.47 -14.68 59.25 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.104 -0.953 . . . . 2.41 109.716 175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.34 58.98 2.02 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 114.34 -1.3 . . . . 1.65 111.236 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.7 t -65.5 145.58 55.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.806 -0.813 . . . . 1.73 108.806 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -53.83 -42.81 68.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.703 0.287 . . . . 2.61 111.334 -169.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.5 -30.43 70.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.078 -0.51 . . . . 1.57 111.562 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 56.7 mt-10 -68.98 -37.28 78.67 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.182 0.515 . . . . 1.54 110.616 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.04 -50.41 59.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.7 -0.682 . . . . 1.12 109.79 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.61 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.477 -0.783 . . . . 0.99 110.794 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . -55.91 -51.42 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 1.08 110.947 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HB3' HD11 ' A' ' 79' ' ' LEU . 49.5 mt -69.08 -34.87 75.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.727 0.299 . . . . 1.17 110.906 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.13 -52.2 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 1.05 110.93 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.79 -30.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.637 0.256 . . . . 0.24 110.802 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.98 -41.84 98.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.036 0.446 . . . . 1.59 109.947 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.616 ' HE2' ' CE1' ' A' ' 29' ' ' TYR . 53.9 t80 -63.68 -48.92 75.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.98 -0.555 . . . . 2.15 110.743 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.633 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 16.9 m-85 -59.73 -41.05 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 2.13 110.841 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 t -66.38 -35.34 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.394 -0.366 . . . . 1.79 110.084 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -64.64 -31.95 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 1.45 110.569 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.2 mt -63.26 -49.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 1.08 110.564 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.66 -23.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 0.47 110.81 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -38.94 80.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.928 -0.578 . . . . 2.22 110.99 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -102.04 2.76 38.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 2.64 110.927 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.79 57.84 5.67 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.262 -0.881 . . . . 3.07 110.302 -174.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.35 -32.78 24.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.947 0.879 . . . . 2.12 109.195 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' B' ' 57' ' ' ALA . 16.5 tt -103.63 155.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.515 -1.221 . . . . 1.11 110.613 -173.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 t -81.38 179.44 7.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.197 -0.456 . . . . 2.23 110.64 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -58.79 -50.67 73.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.096 -0.502 . . . . 2.19 111.731 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.47 -47.7 78.66 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.923 0.392 . . . . 2.3 110.99 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -65.38 -43.54 94.83 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.884 -0.674 . . . . 0.42 112.264 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.48 89.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 1.15 110.854 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -39.57 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 1.84 111.363 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 p -69.87 -31.88 69.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.831 0.348 . . . . 1.26 110.662 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 63.8 mt -67.29 -27.12 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 1.13 110.593 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -68.13 -49.06 63.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.434 -0.348 . . . . 0.53 111.027 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.15 -33.8 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.971 0.415 . . . . 0.36 110.173 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.91 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 1.13 110.657 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 tpp -57.85 -52.04 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 1.17 110.714 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.05 -27.92 69.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.036 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.73 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 1.54 110.417 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 58.3 mt -64.11 -48.83 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 1.12 110.678 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.539 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 29.7 p -61.95 -49.17 77.2 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.05 -0.523 . . . . 1.05 111.308 -176.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.69 -22.89 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 2.66 110.886 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.458 ' HB2' HD12 ' B' ' 39' ' ' ILE . . . -70.73 -47.37 60.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.489 . . . . 1.06 111.309 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 77.1 m-85 -86.97 -27.27 23.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 2.18 111.975 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.28 31.56 4.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.286 -0.959 . . . . 0.43 113.322 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 41.4 p90 -138.16 149.19 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 2.14 109.197 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -85.77 159.64 19.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.032 -0.267 . . . . 2.33 110.596 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -54.81 -48.81 72.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.726 0.298 . . . . 4.25 111.153 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.0 -8.7 51.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.932 0.345 . . . . 3.2 111.932 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.59 -12.34 48.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.472 0.177 . . . . 1.28 111.444 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.26 -30.9 51.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.895 0.378 . . . . 0.54 110.907 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -61.74 -40.89 96.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 2.08 110.331 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.95 -36.99 87.45 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.953 -0.642 . . . . 0.82 111.99 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.97 -48.87 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.432 . . . . 1.16 110.095 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.618 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 86.2 mt -73.79 0.78 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.949 -0.569 . . . . 1.23 111.597 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.72 -44.4 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 1.25 111.242 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -84.57 -41.87 16.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.84 -0.18 . . . . 3.53 111.44 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.2 m -67.42 151.82 46.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.565 . . . . 2.16 111.692 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' B' ' 88' ' ' ARG . 7.3 mm-40 -71.32 -13.92 62.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.259 -0.882 . . . . 2.64 111.039 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 74' ' ' PHE . 64.7 m-85 -73.21 -51.07 19.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.877 -0.602 . . . . 2.4 110.428 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 24.3 mtpp 61.83 -169.64 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.414 -0.812 . . . . 3.27 111.416 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.23 -86.7 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.103 -0.57 . . . . 2.92 112.669 -177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 52.87 -157.88 0.15 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.179 0.514 . . . . 3.84 111.103 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -128.4 125.68 39.08 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.158 -0.682 . . . . 2.43 109.158 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD11 ' A' ' 83' ' ' LEU . 61.3 tp -55.59 -33.04 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.164 -0.925 . . . . 1.15 111.6 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' B' ' 17' ' ' ALA . . . -63.93 -48.73 75.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.282 -0.417 . . . . 1.23 111.312 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.51 -41.09 96.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.252 0.548 . . . . 2.3 110.18 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.58 -47.29 82.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.052 -0.976 . . . . 1.23 110.769 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.608 ' HB3' ' CE1' ' B' ' 74' ' ' PHE . 5.9 mp -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.769 -0.651 . . . . 1.14 111.176 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.81 -13.52 61.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.854 0.359 . . . . 2.26 111.273 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.5 m -82.24 -9.31 59.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.293 -0.412 . . . . 2.01 110.911 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.76 -174.09 4.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 1.71 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 p -153.46 155.51 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 3.45 110.784 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' B' ' 73' ' ' GLU . 13.9 ptm180 -96.0 151.5 19.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 6.16 110.104 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.0 t -107.18 93.69 9.84 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 109.258 -0.645 . . . . 3.58 109.258 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.466 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 64.3 Cg_endo -92.77 119.71 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.799 2.333 . . . . 4.64 113.61 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -88.54 26.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 5.08 110.017 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.5 -0.762 . . . . 4.17 110.151 -179.501 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.601 0.238 . . . . 6.76 110.396 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 67.0 mtt 63.13 20.56 12.35 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.526 0.679 . . . . 5.27 111.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -77.96 -15.39 59.02 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.033 -0.985 . . . . 2.42 109.662 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 80' ' ' ALA . . . 61.55 59.18 1.9 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 114.393 -1.276 . . . . 1.65 111.21 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.452 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 36.6 t -65.62 145.34 56.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.791 -0.818 . . . . 1.73 108.791 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -53.67 -42.68 68.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.65 0.262 . . . . 2.61 111.371 -169.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.61 -30.5 70.8 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.522 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 56.5 mt-10 -68.85 -37.36 79.08 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.192 0.52 . . . . 1.54 110.594 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -67.98 -50.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.681 -0.69 . . . . 1.12 109.794 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.64 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 1.0 110.751 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' B' ' 21' ' ' GLU . . . -55.8 -51.57 67.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 1.08 110.921 176.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.469 ' HB3' HD11 ' B' ' 79' ' ' LEU . 50.8 mt -68.86 -34.93 76.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.307 . . . . 1.17 110.969 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.12 -52.26 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 1.05 110.93 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.75 -30.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 121.082 -0.247 . . . . 0.23 110.766 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.13 -41.86 98.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.886 -0.413 . . . . 1.58 109.886 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.643 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 54.4 t80 -63.56 -48.99 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 2.15 110.776 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 16.7 m-85 -59.78 -40.93 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 2.14 110.853 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 t -66.5 -35.19 79.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.367 -0.379 . . . . 1.79 110.177 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.9 t -64.74 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 1.45 110.499 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.2 -49.76 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.08 110.613 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.68 -23.75 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.852 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.96 -39.17 80.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.971 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -101.83 2.9 38.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 2.64 110.904 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.55 58.07 5.53 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.297 -0.865 . . . . 3.07 110.329 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.65 -32.39 23.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.999 0.904 . . . . 2.11 109.197 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.458 HD12 ' HB2' ' A' ' 57' ' ' ALA . 16.5 tt -103.8 155.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.528 -1.214 . . . . 1.11 110.679 -173.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 t -81.11 179.33 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.084 -0.507 . . . . 2.24 110.815 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -58.82 -50.71 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.759 -171.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.41 -47.8 78.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 2.29 110.979 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -65.24 -43.66 94.98 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.899 -0.667 . . . . 0.42 112.26 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.47 89.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 1.15 110.79 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.88 -39.43 87.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 1.84 111.328 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.5 p -70.0 -31.67 69.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 1.26 110.601 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 64.0 mt -67.6 -26.94 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.29 . . . . 1.13 110.596 174.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.08 -49.13 63.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.471 -0.331 . . . . 0.53 111.047 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.95 -34.01 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.36 110.216 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.01 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 1.13 110.567 176.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.4 tpp -57.83 -52.04 67.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 1.17 110.663 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.03 -27.97 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.99 111.066 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.67 -45.52 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 1.54 110.398 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.447 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 58.2 mt -63.94 -48.9 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.42 . . . . 1.12 110.73 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.536 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 29.0 p -61.97 -49.07 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.306 -176.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -68.87 -22.68 64.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 2.66 110.922 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' ' 39' ' ' ILE . . . -70.82 -47.34 59.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.064 -0.517 . . . . 1.06 111.356 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.447 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 77.0 m-85 -87.03 -27.09 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.103 0.409 . . . . 2.17 112.103 -174.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.57 4.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.272 -0.966 . . . . 0.43 113.402 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' B' ' 60' ' ' PHE . 41.2 p90 -138.2 149.23 45.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.252 -0.648 . . . . 2.14 109.252 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -85.87 159.51 19.67 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 121.13 -0.228 . . . . 2.33 110.557 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -54.63 -49.12 71.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.564 0.221 . . . . 4.25 111.076 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.87 -8.5 49.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.015 0.376 . . . . 3.19 112.015 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.65 -12.49 48.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.537 0.199 . . . . 1.28 111.537 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.15 -30.98 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.53 110.734 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.0 t -61.72 -40.71 96.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 2.07 110.367 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.05 86.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.943 -0.646 . . . . 0.81 111.941 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.85 -48.89 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 1.15 110.14 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.618 ' O ' ' HA ' ' B' ' 75' ' ' LYS . 86.1 mt -73.95 0.97 11.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 1.23 111.569 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 -44.38 4.85 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.524 -0.846 . . . . 1.24 111.181 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -84.6 -41.93 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.197 . . . . 3.53 111.407 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -67.43 151.85 46.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.179 0.514 . . . . 2.17 111.706 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 7.3 mm-40 -71.23 -14.07 62.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.337 -0.847 . . . . 2.64 111.043 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' B' ' 74' ' ' PHE . 64.6 m-85 -73.05 -51.05 19.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.902 -0.59 . . . . 2.4 110.482 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 24.4 mtpp 61.84 -169.66 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.42 -0.809 . . . . 3.27 111.462 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.18 -86.73 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.063 -0.589 . . . . 2.92 112.593 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 52.82 -157.96 0.15 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.284 0.564 . . . . 3.84 111.138 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -128.33 125.65 39.17 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.267 -0.642 . . . . 2.43 109.267 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.504 ' O ' HD11 ' B' ' 83' ' ' LEU . 61.5 tp -55.57 -33.07 63.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.173 -0.922 . . . . 1.15 111.563 -174.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.87 -48.77 75.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.273 -0.421 . . . . 1.23 111.305 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.35 -41.28 96.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.497 0.665 . . . . 2.3 110.252 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.47 -47.24 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.845 -1.07 . . . . 1.22 110.697 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.602 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 5.8 mp -68.06 -34.89 77.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.615 . . . . 1.14 111.191 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.77 -14.14 62.27 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.88 0.372 . . . . 2.26 111.205 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -82.17 -7.96 59.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.201 -0.454 . . . . 2.01 111.076 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.67 -174.05 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 1.7 110.894 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -153.26 155.76 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 3.46 110.708 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 13.9 ptm180 -96.12 151.54 19.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.125 -0.324 . . . . 6.17 110.125 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.21 93.78 10.05 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.22 -0.659 . . . . 3.58 109.22 174.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 64.3 Cg_endo -92.7 119.77 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.83 2.354 . . . . 4.64 113.591 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.69 26.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.289 0.566 . . . . 5.08 110.027 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.473 -0.775 . . . . 4.17 110.063 -179.556 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.001 0.429 . . . . 6.77 110.666 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.6 mtm -58.05 -55.02 40.33 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.023 -0.535 . . . . 5.28 112.353 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -136.06 159.57 41.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.198 0.523 . . . . 2.41 111.02 -174.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.85 69.5 1.48 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.035 -0.984 . . . . 1.65 109.65 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 23.3 t -76.19 162.64 27.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.785 -0.643 . . . . 1.73 110.182 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.01 -51.72 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.771 0.319 . . . . 2.61 111.254 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.36 -29.65 70.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.57 111.476 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 52.0 mt-10 -67.46 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 1.54 110.103 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.8 mt -65.5 -48.18 83.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.282 -0.872 . . . . 1.12 110.001 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -30.12 69.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.448 -0.796 . . . . 0.99 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -52.77 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 1.08 111.058 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.4 mt -67.66 -34.23 76.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.998 -0.281 . . . . 1.17 110.926 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.5 -53.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 1.05 110.979 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.3 -32.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 121.136 -0.226 . . . . 0.24 110.949 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.42 -39.55 94.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.59 110.441 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.604 ' HD1' ' CD2' ' A' ' 29' ' ' TYR . 51.2 t80 -60.93 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.558 -0.292 . . . . 2.15 110.404 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -38.44 86.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.866 0.365 . . . . 2.13 110.375 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.93 -40.56 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 1.79 110.085 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 m -64.22 -34.12 77.37 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.98 0.419 . . . . 1.45 110.702 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 60.7 mt -65.72 -50.98 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.874 -0.603 . . . . 1.08 110.939 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.06 -21.19 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.616 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.83 -59.21 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 2.22 110.874 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HG3' ' HG2' ' A' ' 38' ' ' GLU . 21.6 pttm -96.19 12.31 31.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.551 . . . . 2.64 111.522 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.5 64.66 1.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.937 -1.029 . . . . 3.07 111.702 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 27.7 mm-40 -93.97 -14.19 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.514 0.673 . . . . 2.12 109.903 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.1 tt -113.35 167.36 6.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.22 -0.9 . . . . 1.11 109.835 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 p -69.77 163.13 26.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.769 -0.196 . . . . 2.23 110.495 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.25 -46.45 88.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 2.19 110.442 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.16 -44.47 92.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 2.3 110.527 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -37.31 94.44 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.872 -0.68 . . . . 0.42 112.197 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.12 96.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.642 0.258 . . . . 1.15 110.776 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.3 -37.21 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.84 110.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.3 -40.09 93.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.955 -0.566 . . . . 1.26 110.031 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.36 -27.11 68.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.361 -0.381 . . . . 1.13 111.182 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.68 -53.53 45.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.53 110.826 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.52 -34.13 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.893 0.378 . . . . 0.36 110.238 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.78 95.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 1.13 110.547 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.0 ttm -65.94 -35.98 82.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 1.17 111.345 -176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.38 -42.41 98.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.283 -0.636 . . . . 1.99 109.283 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.5 -38.47 77.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.249 -0.887 . . . . 1.54 111.265 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.8 mt -59.1 -50.0 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.25 0.548 . . . . 1.12 109.756 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.494 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 14.2 m -63.34 -41.63 98.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.79 . . . . 1.05 110.669 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.36 -43.19 91.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.505 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.5 86.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 1.06 111.663 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.629 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 46.0 m-85 -83.99 -20.31 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 2.18 111.454 -177.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.88 44.57 7.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.43 113.128 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 9.1 p90 -139.36 153.25 47.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.604 -0.351 . . . . 2.14 110.272 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.52 147.88 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 2.33 110.648 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -65.48 -17.39 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.533 -0.758 . . . . 4.25 110.628 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 -12.54 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.333 -0.394 . . . . 3.2 110.94 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.51 -16.81 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 1.28 111.253 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.28 -39.3 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.328 -0.396 . . . . 0.54 111.721 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m -61.38 -44.57 96.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 2.08 111.026 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.62 90.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.827 -0.701 . . . . 0.82 112.079 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.94 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 1.16 110.759 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.34 -6.79 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 1.23 111.628 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.37 -42.71 2.91 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.516 -0.85 . . . . 1.25 111.685 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.59 -51.22 9.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.881 0.372 . . . . 3.53 111.661 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.11 164.71 25.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.734 0.778 . . . . 2.16 112.485 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.93 -6.76 35.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.468 -1.242 . . . . 2.64 111.574 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -87.0 22.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 2.4 110.421 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -78.11 56.62 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.534 -0.757 . . . . 3.27 110.952 -179.508 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.04 -33.67 1.48 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.575 -0.739 . . . . 2.92 111.643 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 13.4 mm-40 68.81 166.87 0.27 Allowed 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.134 0.573 . . . . 3.84 112.015 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.3 m170 57.37 82.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.457 -0.792 . . . . 2.43 110.97 -175.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.506 ' O ' HD11 ' A' ' 83' ' ' LEU . 45.3 tp -52.04 -43.52 63.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.433 -0.803 . . . . 1.15 111.265 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.69 91.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 1.23 111.135 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.7 -40.84 89.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.59 . . . . 2.3 110.21 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.72 -46.12 97.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.187 -0.915 . . . . 1.23 111.535 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 HD11 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -69.89 -40.03 75.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 1.14 111.096 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.04 -21.98 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 2.26 110.522 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -71.22 -22.44 62.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 2.01 110.475 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.43 97.11 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 1.71 109.834 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.9 m -77.57 101.11 6.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.604 . . . . 3.45 110.922 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -102.04 132.96 47.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.849 -0.614 . . . . 6.16 110.627 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -84.41 124.8 73.2 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.854 -0.612 . . . . 3.58 109.87 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.09 70.35 1.76 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.878 2.385 . . . . 4.64 112.24 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.26 149.3 47.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.741 -0.663 . . . . 5.08 110.605 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.731 -0.652 . . . . 4.17 110.071 -179.432 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.911 0.386 . . . . 6.76 110.642 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtm -57.9 -54.99 40.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.979 -0.555 . . . . 5.27 112.394 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -136.42 159.45 41.74 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.159 0.504 . . . . 2.42 111.058 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.74 69.47 1.48 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.965 -1.016 . . . . 1.65 109.708 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.414 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 23.0 t -76.14 162.43 28.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 1.73 110.265 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.97 -51.69 68.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 2.61 111.221 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.34 -29.65 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 1.58 111.617 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.414 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 52.5 mt-10 -67.31 -44.17 79.85 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.608 0.718 . . . . 1.54 110.115 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.07 -48.37 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.111 -0.95 . . . . 1.12 109.878 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.17 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.02 62.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 1.08 110.945 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 34.0 mt -67.2 -34.32 77.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.738 -0.385 . . . . 1.17 111.109 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 61.3 mt -61.47 -53.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 1.05 111.01 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.24 -32.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.615 0.245 . . . . 0.23 111.062 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -64.3 -39.78 94.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.479 -0.328 . . . . 1.58 110.382 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.631 ' HD1' ' CD2' ' B' ' 29' ' ' TYR . 51.0 t80 -60.77 -48.7 80.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 2.15 110.484 177.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.16 -38.37 86.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 2.14 110.411 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -40.69 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.539 . . . . 1.79 110.102 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.8 m -63.95 -34.59 78.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.108 0.48 . . . . 1.45 110.632 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.515 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 60.4 mt -65.39 -50.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.716 -0.675 . . . . 1.08 110.911 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.31 -20.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.695 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.23 -59.24 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.389 . . . . 2.22 110.808 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.491 ' HG3' ' HG2' ' B' ' 38' ' ' GLU . 21.5 pttm -96.26 12.43 31.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.244 0.545 . . . . 2.64 111.518 -177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.62 64.62 1.28 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.915 -1.038 . . . . 3.07 111.689 174.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.491 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 29.0 mm-40 -94.04 -14.03 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.414 0.626 . . . . 2.11 109.901 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.515 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.1 tt -113.42 167.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.315 -0.857 . . . . 1.11 109.844 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 30.4 p -69.93 163.22 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.523 -0.177 . . . . 2.24 110.523 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.25 -46.71 87.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.829 0.347 . . . . 2.19 110.405 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.98 -44.65 91.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.784 -0.644 . . . . 2.29 110.47 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.4 94.63 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.42 112.167 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 1.15 110.84 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.28 -37.22 86.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 1.84 110.648 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.22 -40.1 93.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.995 -0.548 . . . . 1.26 109.981 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.52 -26.96 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 1.13 111.2 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.66 -53.68 43.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 0.53 110.853 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.41 -34.2 67.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.798 -0.361 . . . . 0.36 110.223 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.83 95.02 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 1.13 110.474 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 14.1 ttm -65.83 -36.14 82.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.606 . . . . 1.17 111.392 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.7 m -69.33 -38.64 78.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.119 -0.946 . . . . 1.54 111.256 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 54.2 mt -58.98 -50.01 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.243 0.544 . . . . 1.12 109.778 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.493 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.5 m -63.38 -41.68 98.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.441 -0.799 . . . . 1.05 110.614 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.14 -43.69 91.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.655 -0.702 . . . . 2.66 111.349 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.51 . . . . 1.06 111.605 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.617 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 46.0 m-85 -83.88 -20.06 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.427 -0.351 . . . . 2.17 111.366 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.93 7.67 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.166 -0.54 . . . . 0.43 113.043 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.493 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 9.4 p90 -139.67 153.33 47.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.978 0.389 . . . . 2.14 110.171 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.53 148.04 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 2.33 110.759 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -66.02 -16.54 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.704 . . . . 4.25 110.679 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.17 -12.59 46.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.89 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.51 -16.75 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.339 -0.392 . . . . 1.28 111.279 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.27 -39.54 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.287 -0.415 . . . . 0.53 111.636 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.3 m -61.21 -44.63 96.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 2.07 111.137 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.47 -39.75 91.22 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.927 -0.654 . . . . 0.81 111.991 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.88 -45.47 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 1.15 110.761 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.6 -6.71 42.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.311 -0.404 . . . . 1.23 111.648 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.36 -42.95 2.85 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.645 -0.788 . . . . 1.24 111.658 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.44 -51.21 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.69 0.281 . . . . 3.53 111.634 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 55.4 m -71.17 164.77 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.584 0.707 . . . . 2.17 112.572 -170.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.96 -6.82 35.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.557 -1.201 . . . . 2.64 111.452 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -86.91 22.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.907 -0.588 . . . . 2.4 110.402 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.406 ' HB2' ' HZ3' ' B' ' 75' ' ' LYS . 0.4 OUTLIER -78.26 56.62 1.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 3.27 110.932 -179.491 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.14 -33.58 1.48 Allowed Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.572 -0.74 . . . . 2.92 111.706 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.485 ' OE1' ' HA ' ' B' ' 77' ' ' GLN . 13.5 mm-40 68.83 166.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.191 0.596 . . . . 3.84 112.001 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.2 m170 57.18 82.11 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.506 -0.77 . . . . 2.43 111.001 -175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HD11 ' B' ' 83' ' ' LEU . 45.3 tp -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.529 -0.76 . . . . 1.15 111.289 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.8 91.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 1.23 111.183 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.47 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 2.3 110.307 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.75 -46.04 97.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.128 -0.942 . . . . 1.22 111.657 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.502 HD11 ' O ' ' B' ' 79' ' ' LEU . 10.6 mp -69.89 -40.06 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.812 0.339 . . . . 1.14 111.119 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -67.94 -21.96 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.06 0.457 . . . . 2.26 110.476 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -71.27 -22.46 61.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 2.01 110.436 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.45 96.91 1.98 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.105 0.479 . . . . 1.7 109.872 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -77.63 101.12 6.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.902 -0.59 . . . . 3.46 110.943 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -102.07 132.8 47.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.821 -0.627 . . . . 6.17 110.657 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 62.3 t -84.22 124.89 73.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.069 -0.514 . . . . 3.58 109.871 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.09 70.31 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.819 2.346 . . . . 4.64 112.193 177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.09 149.49 47.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 5.08 110.597 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 60.3 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.622 -0.704 . . . . 4.17 110.14 -179.477 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.464 -0.199 . . . . 6.77 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.3 mtm 71.86 148.21 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.028 0.83 . . . . 5.28 112.026 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.3 m 62.68 37.75 12.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.396 -0.82 . . . . 2.41 111.666 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.9 59.88 3.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.347 0.594 . . . . 1.65 110.608 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 t -71.4 142.47 50.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.422 -0.808 . . . . 1.73 109.382 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -56.71 -30.34 63.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.441 -0.8 . . . . 2.61 111.956 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.94 -38.94 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 1.57 110.653 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -69.5 -46.74 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.284 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.0 mt -60.18 -51.38 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 1.12 110.544 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.42 84.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.99 110.882 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.97 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 1.08 110.938 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.36 -38.49 87.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 1.17 110.694 176.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.72 -52.14 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 1.05 111.227 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.17 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.815 0.34 . . . . 0.24 110.721 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.41 -37.87 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.59 110.168 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.91 -49.88 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 2.15 110.492 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.77 -37.42 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 2.13 110.451 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -35.04 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.79 110.127 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -68.68 -33.17 73.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.384 . . . . 1.45 110.288 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 51.2 mt -63.1 -45.94 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.08 110.525 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.73 -21.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.432 . . . . 0.47 110.973 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.47 -49.58 73.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.034 0.445 . . . . 2.22 110.113 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.93 -1.94 58.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.347 0.594 . . . . 2.64 110.454 177.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.59 52.85 13.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.501 -1.227 . . . . 3.07 111.269 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -84.82 -28.0 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.547 -0.909 . . . . 2.12 108.547 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.0 tt -90.9 156.16 3.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.707 -1.133 . . . . 1.11 110.176 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -75.91 166.08 24.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 2.23 110.818 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -52.11 -50.78 60.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.276 0.36 . . . . 2.19 111.839 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.28 -44.77 80.12 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.206 -0.452 . . . . 2.3 110.937 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -68.62 -35.16 80.17 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.68 -0.771 . . . . 0.42 112.181 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.93 81.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.627 0.251 . . . . 1.15 110.922 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.26 -35.22 80.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.157 0.503 . . . . 1.84 110.529 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -65.92 -38.0 87.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.643 -0.708 . . . . 1.26 110.455 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 -26.16 65.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 1.13 111.178 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -66.33 -55.35 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.499 -0.319 . . . . 0.53 110.746 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.31 -37.99 81.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 110.252 -0.277 . . . . 0.36 110.252 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.28 87.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 1.13 110.408 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 8.5 ttm -62.3 -41.97 98.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.737 -0.665 . . . . 1.17 111.473 -176.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.03 -44.08 94.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.084 -0.507 . . . . 1.99 109.753 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 84.4 m -66.79 -38.56 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.507 -0.77 . . . . 1.54 111.515 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.95 -51.13 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.265 0.555 . . . . 1.12 109.719 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -63.71 -43.63 95.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.352 -0.84 . . . . 1.05 110.735 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.45 -35.38 79.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.643 . . . . 2.66 110.605 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.36 -48.2 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 1.06 111.788 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.64 -22.9 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 2.18 111.386 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.15 47.66 2.8 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.784 -0.722 . . . . 0.43 112.934 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.623 ' HE1' ' CE2' ' A' ' 60' ' ' PHE . 49.1 p90 -143.92 167.26 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.868 -0.419 . . . . 2.14 109.868 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.77 150.32 23.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.009 0.433 . . . . 2.33 110.444 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.28 -19.94 63.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 4.25 110.947 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.17 -7.33 59.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 3.2 110.462 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.0 8.99 24.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.112 -0.494 . . . . 1.28 111.166 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.33 -35.33 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.54 110.331 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 p -68.81 -28.42 66.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 2.08 110.497 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.77 58.14 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.82 111.597 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.84 -49.6 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.737 0.303 . . . . 1.16 110.211 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 83.8 mt -74.03 4.69 5.11 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.178 -0.465 . . . . 1.23 111.702 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.53 -19.61 19.9 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.586 -0.816 . . . . 1.25 111.699 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.97 -14.74 12.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.849 0.357 . . . . 3.53 110.884 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.415 ' OG ' ' HA ' ' A' ' 69' ' ' LEU . 59.1 p -72.26 161.78 30.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 2.16 111.071 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.48 23.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.175 0.512 . . . . 2.64 110.497 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -136.36 32.89 2.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.549 -0.75 . . . . 2.4 109.077 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -74.92 138.89 42.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.48 -0.782 . . . . 3.27 111.256 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.75 18.65 76.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.07 -0.586 . . . . 2.92 112.119 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' HG3' ' CB ' ' B' ' 88' ' ' ARG . 86.7 mm-40 -128.02 162.97 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 3.84 110.805 -176.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -120.58 141.09 50.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.282 -0.417 . . . . 2.43 110.552 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 46.5 tp -52.43 -52.68 52.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.15 111.396 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.614 . . . . 1.23 111.921 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.54 -36.13 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 2.3 109.963 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 74.1 mt -60.18 -51.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 1.23 110.228 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.58 -31.53 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 1.14 111.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -64.71 -28.78 69.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 2.26 110.848 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t -83.67 -9.84 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.076 -0.511 . . . . 2.01 110.597 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.42 159.84 16.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.71 110.844 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 t -163.52 110.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.404 -0.591 . . . . 3.45 109.404 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -124.23 99.13 6.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.387 -0.369 . . . . 6.16 110.714 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -119.86 85.86 34.92 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.447 -0.342 . . . . 3.58 110.331 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.84 106.65 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.902 2.401 . . . . 4.64 111.459 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.61 120.65 16.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.987 -0.551 . . . . 5.08 109.734 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.521 -0.752 . . . . 4.17 110.344 -176.508 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.399 -0.222 . . . . 6.76 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtm 71.64 148.46 0.08 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 123.738 0.815 . . . . 5.27 112.054 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m 62.36 38.08 13.3 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.306 -0.861 . . . . 2.42 111.642 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.91 59.86 3.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.346 0.593 . . . . 1.65 110.589 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.4 t -71.4 142.35 50.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.577 -0.738 . . . . 1.73 109.362 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.68 -30.3 63.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.459 -0.791 . . . . 2.61 111.863 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 1.58 110.634 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.45 -46.68 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 1.54 110.397 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 54.2 mt -60.27 -51.3 74.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.141 -0.936 . . . . 1.12 110.552 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.36 84.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.99 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.23 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.08 110.951 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 87.7 mt -66.42 -38.55 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 1.17 110.7 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.69 -52.16 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 1.05 111.22 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.28 -33.39 63.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.932 -0.307 . . . . 0.23 110.681 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.42 -38.19 84.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 1.58 110.098 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.62 -49.97 71.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.385 . . . . 2.15 110.515 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.71 -37.51 84.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 2.14 110.471 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.79 110.172 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -32.96 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 1.45 110.43 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 50.8 mt -63.32 -45.83 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.381 -0.372 . . . . 1.08 110.507 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.74 -22.03 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.47 110.965 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -49.61 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.22 110.187 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.9 -1.9 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 2.64 110.442 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.64 52.55 13.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.476 -1.238 . . . . 3.07 111.222 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -84.43 -28.22 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.492 -0.929 . . . . 2.11 108.492 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.471 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.9 tt -90.89 155.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.733 -1.121 . . . . 1.11 110.265 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -75.45 166.11 24.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.506 -0.316 . . . . 2.24 110.89 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.29 -50.71 61.62 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.319 0.387 . . . . 2.19 111.867 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -56.18 -44.96 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 2.29 110.894 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.58 -35.19 80.46 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.716 -0.754 . . . . 0.42 112.153 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.01 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 1.15 110.978 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.18 -35.29 80.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.116 0.484 . . . . 1.84 110.415 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -66.02 -37.88 87.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.754 -0.657 . . . . 1.26 110.465 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.77 -26.1 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 1.13 111.112 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.44 -55.33 16.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.32 . . . . 0.53 110.805 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.13 -38.05 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.36 110.227 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.62 -46.11 87.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.13 110.491 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.441 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 8.4 ttm -62.47 -41.89 99.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 1.17 111.509 -176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.02 -44.17 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.99 109.731 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -66.63 -38.68 87.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.595 -0.73 . . . . 1.54 111.513 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 61.9 mt -59.86 -51.19 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.345 0.593 . . . . 1.12 109.64 176.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.6 m -63.59 -43.59 96.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.368 -0.833 . . . . 1.05 110.846 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.59 -35.15 78.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 2.66 110.571 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.408 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -70.46 -48.22 56.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.748 -0.66 . . . . 1.06 111.767 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -79.89 -22.6 42.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 2.17 111.375 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.18 47.29 2.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.785 -0.721 . . . . 0.43 112.87 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.612 ' HE1' ' CE2' ' B' ' 60' ' ' PHE . 49.0 p90 -143.74 167.1 23.07 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.898 -0.408 . . . . 2.14 109.898 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -102.67 150.29 23.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 2.33 110.389 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -69.46 -19.7 63.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 4.25 110.947 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.14 -7.7 59.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.001 -0.545 . . . . 3.19 110.471 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.69 9.09 25.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 1.28 111.167 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.41 -35.33 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.53 110.368 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -68.73 -28.57 66.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.976 0.417 . . . . 2.07 110.421 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.09 60.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.555 -0.618 . . . . 0.81 111.555 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.76 -49.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.132 -0.322 . . . . 1.15 110.132 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.411 ' HA ' ' OG ' ' B' ' 72' ' ' SER . 83.8 mt -74.2 5.03 4.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 1.23 111.72 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.67 19.15 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.613 -0.803 . . . . 1.24 111.519 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.84 -14.79 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 3.53 110.873 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.411 ' OG ' ' HA ' ' B' ' 69' ' ' LEU . 60.0 p -72.18 161.77 30.41 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.034 -0.53 . . . . 2.17 111.124 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.34 23.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.202 0.525 . . . . 2.64 110.513 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -136.17 32.98 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.526 -0.761 . . . . 2.4 109.099 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.08 138.97 42.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.536 -0.757 . . . . 3.27 111.227 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.5 19.01 75.94 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.91 -0.586 . . . . 2.92 112.121 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -128.33 162.89 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.803 0.335 . . . . 3.84 110.712 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -120.6 141.06 50.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.135 -0.484 . . . . 2.43 110.554 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.444 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 46.6 tp -52.42 -52.6 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 1.15 111.464 -175.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.07 87.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 1.23 111.866 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.54 -36.2 82.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.235 0.54 . . . . 2.3 109.852 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 74.5 mt -60.19 -51.49 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.468 -0.787 . . . . 1.22 110.241 174.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 1.14 111.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.61 -29.02 70.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.069 0.461 . . . . 2.26 110.852 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -84.03 -8.6 59.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.101 -0.499 . . . . 2.01 110.618 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.29 159.96 16.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 1.7 110.882 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.6 t -163.81 110.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.372 -0.603 . . . . 3.46 109.372 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.44 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 95.7 mtt180 -124.13 99.18 6.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.362 -0.381 . . . . 6.17 110.753 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.93 86.14 35.87 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.463 -0.335 . . . . 3.58 110.325 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.98 106.35 1.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.921 2.414 . . . . 4.64 111.459 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.98 120.71 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.999 -0.546 . . . . 5.08 109.811 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.442 -0.79 . . . . 4.17 110.445 -176.646 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.478 ' C ' ' H ' ' A' ' 16' ' ' SER . 51.3 ttp . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.615 -0.513 . . . . 6.77 109.615 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' MET . 67.5 mtm 71.96 -5.49 1.7 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.692 0.797 . . . . 5.28 110.281 -172.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.478 ' H ' ' C ' ' A' ' 14' ' ' MET . 71.0 m -165.27 167.47 17.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.224 -1.399 . . . . 2.41 107.224 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.73 98.15 9.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.701 0.286 . . . . 1.65 110.357 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.11 161.03 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.467 -0.333 . . . . 1.73 110.695 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -57.54 -49.04 77.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.809 0.3 . . . . 2.61 111.809 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.6 -31.98 70.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.454 -0.339 . . . . 1.57 111.148 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.97 -43.25 99.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.288 0.566 . . . . 1.54 110.182 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.69 -48.07 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.364 -0.835 . . . . 1.12 110.57 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.48 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.99 111.103 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.52 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 1.08 110.839 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 79.6 mt -69.48 -35.89 76.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.233 -0.44 . . . . 1.17 110.982 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.39 -50.57 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 1.05 110.937 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.01 -31.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.967 -0.293 . . . . 0.24 110.572 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.51 -44.94 95.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.365 . . . . 1.59 110.574 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 38.4 t80 -60.23 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.15 110.707 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 20.6 m-85 -63.86 -37.43 87.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 2.13 110.796 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -60.42 -45.77 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 1.79 110.135 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.9 t -62.32 -40.2 95.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.229 -0.441 . . . . 1.45 110.288 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.502 HD12 ' CZ ' ' A' ' 29' ' ' TYR . 50.9 mt -58.02 -50.91 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.08 111.362 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.89 -19.71 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 0.47 111.219 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.37 -56.72 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.205 -0.452 . . . . 2.22 110.892 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 32' ' ' SER . 21.4 ptmt -92.67 3.1 56.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 2.64 111.33 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.51 77.82 0.31 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.314 -0.857 . . . . 3.07 111.314 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 25.4 mm-40 -109.24 1.76 20.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.503 -0.771 . . . . 2.12 109.909 176.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.8 tt -134.15 168.71 23.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.32 -0.854 . . . . 1.11 109.913 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 p -72.39 165.07 25.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.974 0.171 . . . . 2.23 111.192 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -56.72 -47.4 80.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.995 0.426 . . . . 2.19 110.474 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.47 -41.46 93.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.3 111.026 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.24 -36.52 93.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.42 112.211 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.99 74.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 1.15 110.498 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.41 -45.34 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.466 -0.788 . . . . 1.84 111.165 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' B' ' 53' ' ' CYS . 14.6 p -67.86 -34.34 76.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 1.26 110.729 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.71 -29.19 69.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 1.13 111.153 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.98 -57.28 9.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.699 -0.228 . . . . 0.53 111.099 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.53 -33.82 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.123 0.487 . . . . 0.36 110.424 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.036 -0.529 . . . . 1.13 110.663 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.8 ttm -69.14 -36.26 77.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 1.17 110.868 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.96 -41.36 87.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.076 -0.713 . . . . 1.99 109.076 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.07 -52.62 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 1.54 110.977 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 53.3 mt -52.45 -52.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.16 0.505 . . . . 1.12 110.782 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.427 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -61.13 -49.29 77.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 1.05 111.299 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.21 -34.1 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 2.66 111.287 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' B' ' 39' ' ' ILE . . . -64.12 -41.12 97.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.317 -0.401 . . . . 1.06 111.257 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 45.5 m-85 -85.64 -26.61 25.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.334 -0.394 . . . . 2.18 111.106 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.29 38.07 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.788 -0.72 . . . . 0.43 113.159 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' A' ' 55' ' ' SER . 34.6 p90 -139.95 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.726 -0.472 . . . . 2.14 109.726 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.7 148.75 43.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.948 0.404 . . . . 2.33 110.476 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.24 -21.24 61.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.433 -0.803 . . . . 4.25 112.1 -175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.4 -18.72 58.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.818 0.342 . . . . 3.2 110.674 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.23 5.79 48.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.444 -0.344 . . . . 1.28 111.627 -176.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.71 -35.79 74.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.601 -0.272 . . . . 0.54 111.624 -175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t -66.68 -40.45 88.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 2.08 110.125 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.73 -40.11 98.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.094 -0.574 . . . . 0.82 111.692 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.89 -53.82 37.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.331 -0.248 . . . . 1.16 110.331 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 91.8 mt -62.73 -34.18 76.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.384 -0.371 . . . . 1.23 111.674 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.07 84.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.918 -0.658 . . . . 1.25 112.539 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.64 -29.25 20.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.268 0.556 . . . . 3.53 110.354 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -78.82 164.02 24.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.762 -0.653 . . . . 2.16 110.662 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 14' ' ' MET . 41.8 mt-10 -87.27 38.0 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.132 -0.485 . . . . 2.64 110.679 -177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -139.19 34.4 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 2.4 110.23 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' B' ' 90' ' ' PRO . 20.4 pttp -88.95 151.43 22.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.595 . . . . 3.27 110.872 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.83 -51.57 4.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.208 -0.52 . . . . 2.92 112.461 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -89.29 141.69 28.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.626 0.25 . . . . 3.84 110.327 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -86.13 167.93 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.068 -0.715 . . . . 2.43 109.068 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' O ' HD11 ' A' ' 83' ' ' LEU . 46.8 tp -53.08 -46.45 68.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.198 0.523 . . . . 1.15 110.524 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.86 82.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 1.23 111.936 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -62.72 -41.05 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.545 0.688 . . . . 2.3 109.599 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.82 -48.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.889 -1.051 . . . . 1.23 110.944 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 79' ' ' LEU . 9.6 mp -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.514 . . . . 1.14 111.008 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.437 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 52.7 t30 -62.71 -25.79 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.294 0.569 . . . . 2.26 110.333 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -88.4 -10.18 50.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 2.01 110.703 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.45 39.36 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 1.71 111.312 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -74.64 95.79 2.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 3.45 110.214 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -86.39 123.47 31.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.891 -0.595 . . . . 6.16 110.698 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 5.9 p -55.88 119.87 29.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.221 -0.445 . . . . 3.58 111.651 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 2.9 Cg_exo -75.85 102.78 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.643 2.228 . . . . 4.64 111.956 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.18 177.29 5.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.474 -0.33 . . . . 5.08 110.232 178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.612 -0.709 . . . . 4.17 109.96 177.285 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.473 ' C ' ' H ' ' B' ' 16' ' ' SER . 52.0 ttp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.714 -0.476 . . . . 6.76 109.714 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.462 ' HB2' ' O ' ' B' ' 14' ' ' MET . 68.6 mtm 72.0 -5.42 1.72 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.654 0.782 . . . . 5.27 110.319 -172.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 14' ' ' MET . 67.5 m -165.03 167.77 18.05 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.213 -1.403 . . . . 2.42 107.213 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.86 98.42 9.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.695 0.283 . . . . 1.65 110.289 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.25 161.06 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 1.73 110.689 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -57.56 -49.12 77.41 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.749 0.277 . . . . 2.61 111.749 -173.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.58 111.095 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.92 -43.27 99.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.295 0.569 . . . . 1.54 110.197 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.54 -48.28 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.42 -0.809 . . . . 1.12 110.527 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.44 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.14 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.63 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 1.08 110.87 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 79.0 mt -69.49 -35.82 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 1.17 110.927 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.48 -50.51 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.925 -0.579 . . . . 1.05 110.938 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.06 -31.13 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.853 -0.339 . . . . 0.23 110.575 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.47 -44.92 95.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.954 0.407 . . . . 1.58 110.572 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.493 ' CZ ' HD12 ' B' ' 33' ' ' ILE . 38.4 t80 -60.26 -51.05 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 2.15 110.691 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 20.8 m-85 -63.73 -37.48 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.697 0.284 . . . . 2.14 110.879 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.3 t -60.44 -45.57 93.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.228 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 23.6 t -62.38 -40.26 95.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 1.45 110.37 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' B' ' 29' ' ' TYR . 51.0 mt -58.08 -50.83 76.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 1.08 111.348 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.85 -19.86 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.813 0.34 . . . . 0.47 111.16 -176.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.49 -56.35 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.989 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 32' ' ' SER . 21.4 ptmt -92.74 2.91 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 2.64 111.429 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.56 77.8 0.31 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.267 -0.878 . . . . 3.07 111.372 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.428 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 25.6 mm-40 -109.15 1.56 20.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.11 109.885 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.433 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.7 tt -133.99 168.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.215 -0.902 . . . . 1.11 109.925 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 55.1 p -72.3 165.13 25.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.962 0.164 . . . . 2.24 111.035 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.69 -47.49 79.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 2.19 110.496 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.45 -41.5 93.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 2.29 110.96 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.44 93.43 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.801 -0.714 . . . . 0.42 112.188 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.297 0.57 . . . . 1.15 110.518 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.2 -45.42 73.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 1.84 111.228 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -67.95 -34.24 76.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 1.26 110.645 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.84 -29.3 70.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 1.13 111.208 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.77 -57.39 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.596 -0.275 . . . . 0.53 111.221 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.54 -33.48 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.034 0.445 . . . . 0.36 110.494 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.81 92.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 1.13 110.591 176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 16.7 ttm -69.25 -36.14 76.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 1.17 110.865 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.86 -41.25 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.207 -0.664 . . . . 1.99 109.207 173.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 46' ' ' SER . 86.2 m -65.34 -52.55 53.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.104 -0.953 . . . . 1.54 111.011 177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 53.9 mt -52.5 -52.81 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.071 0.463 . . . . 1.12 110.605 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -61.14 -49.51 76.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 1.05 111.129 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.0 -34.11 74.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 2.66 111.285 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.75 96.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 1.06 111.204 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 45.7 m-85 -85.82 -26.66 25.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 2.17 111.13 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.16 38.22 3.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.74 -0.743 . . . . 0.43 113.175 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' B' ' 55' ' ' SER . 34.8 p90 -140.08 173.86 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.745 -0.465 . . . . 2.14 109.745 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.71 148.82 43.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.01 0.433 . . . . 2.33 110.403 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.16 -21.37 61.57 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.278 -0.874 . . . . 4.25 112.028 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.44 -18.55 58.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.824 0.345 . . . . 3.19 110.681 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.44 5.85 47.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 1.28 111.588 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.63 -35.92 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.657 0.243 . . . . 0.53 111.657 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -40.32 88.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 2.07 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.72 -39.95 98.02 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.003 -0.618 . . . . 0.81 111.763 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.1 -53.63 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.355 -0.239 . . . . 1.15 110.355 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 91.9 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 1.23 111.689 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.02 -33.08 84.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.949 -0.643 . . . . 1.24 112.53 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.76 -29.35 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.099 0.476 . . . . 3.53 110.276 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -78.61 164.02 25.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.791 -0.641 . . . . 2.17 110.641 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.429 ' OE1' ' HA ' ' B' ' 14' ' ' MET . 41.9 mt-10 -87.22 37.96 0.79 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 2.64 110.718 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -139.16 34.43 2.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.605 . . . . 2.4 110.286 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 90' ' ' PRO . 20.3 pttp -88.93 151.26 22.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.837 -0.62 . . . . 3.27 110.892 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.11 -51.67 4.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.151 -0.547 . . . . 2.92 112.426 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -89.41 141.89 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 3.84 110.253 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -86.19 168.02 14.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.157 -0.682 . . . . 2.43 109.157 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.42 ' O ' HD11 ' B' ' 83' ' ' LEU . 46.6 tp -53.06 -46.57 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.543 . . . . 1.15 110.474 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.8 82.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.629 -0.714 . . . . 1.23 111.868 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.77 -40.86 98.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.526 0.679 . . . . 2.3 109.727 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.93 -48.51 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.864 -1.062 . . . . 1.22 110.911 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.42 HD11 ' O ' ' B' ' 79' ' ' LEU . 9.6 mp -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 1.14 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.448 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 52.7 t30 -62.83 -25.49 68.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.236 0.541 . . . . 2.26 110.323 177.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -89.13 -9.62 50.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 2.01 110.625 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.73 39.23 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.277 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' SER . . . . . 0.401 ' HB3' ' OE1' ' A' ' 73' ' ' GLU . 19.9 m -74.58 95.67 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.032 0.444 . . . . 3.46 110.262 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 73' ' ' GLU . 48.7 mtp85 -86.0 123.25 31.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 6.17 110.809 -177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 6.1 p -55.63 119.82 27.73 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 120.985 0.421 . . . . 3.58 111.717 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.431 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 3.0 Cg_exo -75.84 102.89 1.66 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 4.64 111.967 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.36 177.41 5.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.435 -0.348 . . . . 5.08 110.241 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.448 -0.787 . . . . 4.17 109.95 177.115 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' B' ' 84' ' ' ASN . 94.0 mtp . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.537 0.208 . . . . 6.77 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.411 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 21.7 mmt -75.45 -24.06 56.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.358 . . . . 5.28 110.758 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -155.97 162.22 40.39 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.1 -0.5 . . . . 2.41 109.737 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.2 62.19 1.43 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.562 -0.744 . . . . 1.65 109.317 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -72.06 149.54 44.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.635 -0.711 . . . . 1.73 110.61 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.71 -45.64 49.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.227 0.329 . . . . 2.61 111.532 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.5 -38.58 91.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 1.57 111.629 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.352 0.596 . . . . 1.54 109.96 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.2 -50.26 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.063 -0.971 . . . . 1.12 110.521 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.55 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.752 -0.658 . . . . 0.99 111.5 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.62 88.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.974 -0.557 . . . . 1.08 111.124 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.03 -28.3 54.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.784 0.326 . . . . 1.17 110.852 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.44 ' HA ' HD23 ' A' ' 79' ' ' LEU . 61.7 mt -64.86 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.248 -0.433 . . . . 1.05 111.007 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -27.0 37.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.24 110.649 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.82 -44.44 94.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.59 110.573 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' A' ' 33' ' ' ILE . 42.0 t80 -62.24 -49.86 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 2.15 110.807 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.57 -41.36 85.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 2.13 110.983 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -68.22 -25.73 65.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 1.79 110.44 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 -30.19 44.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.429 -0.35 . . . . 1.45 110.848 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 15.0 mt -68.48 -47.47 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 1.08 110.255 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.95 -25.11 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.47 111.004 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.89 -50.42 73.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 2.22 110.925 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -99.22 5.37 46.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 2.64 111.566 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 56.45 58.85 3.94 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.042 -0.981 . . . . 3.07 111.017 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -100.11 0.13 40.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.927 0.87 . . . . 2.12 109.435 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 14.8 tt -110.37 155.72 11.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.384 -1.28 . . . . 1.11 109.672 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 p -64.42 146.64 54.18 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.477 -0.329 . . . . 2.23 110.637 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.68 -47.95 63.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.809 0.338 . . . . 2.19 111.27 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.82 -49.35 78.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 2.3 110.791 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.88 -34.08 85.93 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.42 112.736 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.47 90.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 1.15 110.815 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.84 -35.48 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 1.84 110.164 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 m -62.39 -36.32 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 1.26 110.481 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 51' ' ' MET . 22.9 mt -73.85 -16.6 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.954 -0.298 . . . . 1.13 111.221 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.71 -47.3 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 0.53 110.652 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.62 -34.81 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.36 109.706 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.91 77.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.691 -0.686 . . . . 1.13 110.862 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 28.0 tpp -56.39 -45.28 80.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.948 -0.569 . . . . 1.17 110.729 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.71 -39.74 94.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 1.99 110.234 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.39 -41.94 96.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 1.54 111.364 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.5 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 64.4 mt -62.38 -50.21 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 1.12 109.83 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 19.8 m -59.28 -42.58 91.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 1.05 110.785 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.25 -39.75 94.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 2.66 111.216 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 1.06 112.029 -177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 86.0 m-85 -102.96 -15.76 16.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 2.18 111.619 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 34.44 9.25 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.863 -0.684 . . . . 0.43 113.538 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.662 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 39.6 p90 -132.06 172.7 12.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.017 0.409 . . . . 2.14 110.17 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -108.65 154.14 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.666 -0.494 . . . . 2.33 109.666 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.56 -43.38 89.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.107 -0.237 . . . . 4.25 110.915 -178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.74 9.26 1.52 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.936 0.347 . . . . 3.2 111.936 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.42 -2.44 14.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.66 -0.245 . . . . 1.28 111.265 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.04 -33.0 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.794 0.331 . . . . 0.54 110.689 -178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 t -58.11 -45.39 87.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 2.08 110.25 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.67 95.53 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.041 -0.599 . . . . 0.82 112.163 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.84 -48.55 87.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.696 0.284 . . . . 1.16 110.599 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 88.9 mt -62.09 -41.54 98.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 1.23 111.205 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.5 77.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.644 -0.789 . . . . 1.25 112.408 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.86 21.54 17.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.757 0.313 . . . . 3.53 111.503 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.6 p -99.8 158.67 15.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.846 0.355 . . . . 2.16 110.313 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 15' ' ' MET . 51.9 mm-40 -92.64 20.73 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.739 0.781 . . . . 2.64 109.439 172.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CE2' ' HB3' ' B' ' 83' ' ' LEU . 6.0 m-30 -109.25 -69.62 0.85 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.361 -1.29 . . . . 2.4 109.658 175.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.545 ' HZ2' ' HB3' ' A' ' 75' ' ' LYS . 6.6 mtpm? 47.49 52.41 12.43 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 115.407 -0.815 . . . . 3.27 109.531 -176.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' CA ' HD12 ' A' ' 82' ' ' ILE . . . -81.07 2.02 82.67 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 114.871 -1.059 . . . . 2.92 114.806 -166.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 69.51 -80.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.684 0.754 . . . . 3.84 111.083 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -135.5 126.31 27.42 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 114.451 -1.249 . . . . 2.43 110.121 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 26' ' ' ILE . 36.0 tp -59.76 -42.4 93.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.714 -1.13 . . . . 1.15 112.218 -174.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 1.23 111.698 -175.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.85 -37.01 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.444 0.64 . . . . 2.3 109.952 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.487 HD12 ' CA ' ' A' ' 76' ' ' GLY . 58.1 mt -64.21 -57.19 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.141 -0.936 . . . . 1.23 111.321 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.636 ' HB3' ' CE2' ' B' ' 74' ' ' PHE . 10.8 mp -61.4 -28.81 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 1.14 111.304 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' B' ' 14' ' ' MET . 44.6 t30 -57.5 -47.51 81.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.26 110.442 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.0 t -84.53 -9.61 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 2.01 111.108 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.26 68.58 1.09 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.102 0.477 . . . . 1.71 111.889 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.417 ' OG ' ' HG3' ' B' ' 14' ' ' MET . 57.1 m -92.58 130.83 38.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.0 -0.546 . . . . 3.45 109.877 174.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -106.15 128.57 54.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.188 0.518 . . . . 6.16 110.644 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.35 87.76 48.67 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.624 . . . . 3.58 109.932 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.18 148.02 55.09 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.811 2.341 . . . . 4.64 111.745 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -77.47 97.59 5.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.28 -0.418 . . . . 5.08 110.351 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.79 -0.641 . . . . 4.17 109.311 -179.135 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.417 ' HG3' ' OG ' ' A' ' 87' ' ' SER . 94.4 mtp . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.572 0.225 . . . . 6.76 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.411 ' HB2' ' HG3' ' B' ' 73' ' ' GLU . 21.5 mmt -75.66 -24.03 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 5.27 110.735 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.2 p -155.95 162.36 40.38 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.009 -0.541 . . . . 2.42 109.618 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.31 62.06 1.43 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.463 -0.789 . . . . 1.65 109.247 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -71.94 149.7 44.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.645 -0.707 . . . . 1.73 110.649 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.9 -45.64 51.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.172 0.295 . . . . 2.61 111.425 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.45 -38.51 91.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.58 111.651 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.04 -43.21 96.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.614 0.721 . . . . 1.54 109.937 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.94 -50.29 78.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.964 -1.016 . . . . 1.12 110.473 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.46 70.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.472 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.87 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.547 . . . . 1.08 110.999 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.46 -28.48 56.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.712 -0.395 . . . . 1.17 111.066 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.434 ' HA ' HD23 ' B' ' 79' ' ' LEU . 62.2 mt -64.73 -51.53 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 1.05 110.983 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -26.95 36.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.808 0.337 . . . . 0.23 110.635 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.79 -44.38 93.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.57 . . . . 1.58 110.544 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' B' ' 33' ' ' ILE . 41.9 t80 -62.35 -49.76 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 2.15 110.852 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.55 -41.34 85.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 2.14 110.99 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -68.41 -25.56 65.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 1.79 110.496 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.71 -30.48 46.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.817 0.341 . . . . 1.45 110.782 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.464 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 15.4 mt -68.4 -47.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.847 0.355 . . . . 1.08 110.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.09 -25.05 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.894 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.99 -50.5 73.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 2.22 110.876 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.23 5.67 46.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 2.64 111.63 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 56.15 58.93 3.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.098 -0.955 . . . . 3.07 111.044 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -100.43 0.41 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.831 0.824 . . . . 2.11 109.423 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 14.8 tt -110.59 155.5 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.409 -1.269 . . . . 1.11 109.734 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.4 p -64.2 146.56 54.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.439 -0.346 . . . . 2.24 110.694 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.74 -47.78 63.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.982 0.42 . . . . 2.19 111.336 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.03 -49.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.765 -0.652 . . . . 2.29 110.734 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.1 -33.93 86.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 0.42 112.763 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.76 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 1.15 110.76 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.78 -35.3 74.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.182 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.6 m -62.38 -36.36 82.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 1.26 110.504 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' B' ' 51' ' ' MET . 23.5 mt -73.82 -16.69 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.002 -0.279 . . . . 1.13 111.211 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.55 -47.38 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.53 110.717 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.59 -34.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.476 . . . . 0.36 109.755 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.4 -34.87 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.682 -0.69 . . . . 1.13 110.9 176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' B' ' 47' ' ' LEU . 28.0 tpp -56.43 -45.29 80.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.96 -0.564 . . . . 1.17 110.719 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.58 -39.88 94.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 1.99 110.287 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.3 -41.97 96.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 1.54 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.499 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 63.9 mt -62.24 -50.31 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.118 0.485 . . . . 1.12 109.84 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.505 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 19.9 m -59.32 -42.59 91.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.626 -0.716 . . . . 1.05 110.762 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.659 . . . . 2.66 111.174 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.46 75.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 1.06 111.965 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 86.7 m-85 -102.96 -15.96 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.648 0.261 . . . . 2.17 111.472 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.86 34.64 8.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.937 -0.649 . . . . 0.43 113.388 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 39.2 p90 -132.29 172.68 12.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.08 0.44 . . . . 2.14 110.125 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -108.61 154.09 22.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.702 -0.481 . . . . 2.33 109.702 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -58.65 -43.24 89.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.583 0.23 . . . . 4.25 110.843 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -73.88 9.24 1.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.826 0.306 . . . . 3.19 111.826 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.66 -2.31 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.672 -0.24 . . . . 1.28 111.251 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.06 -33.01 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.706 0.289 . . . . 0.53 110.742 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 43.8 t -58.08 -45.38 87.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 2.07 110.247 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.22 -43.44 95.36 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.882 -0.599 . . . . 0.81 112.152 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -48.52 87.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-O 120.609 0.242 . . . . 1.15 110.493 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 89.1 mt -62.02 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 1.23 111.22 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.01 -30.73 78.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.712 -0.756 . . . . 1.24 112.346 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.59 21.37 17.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.348 . . . . 3.53 111.562 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 91.0 p -99.67 158.66 15.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.835 0.35 . . . . 2.17 110.343 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' B' ' 15' ' ' MET . 51.1 mm-40 -92.56 20.92 5.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.692 0.758 . . . . 2.64 109.51 172.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.636 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 m-30 -109.41 -69.63 0.85 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.424 -1.262 . . . . 2.4 109.666 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.54 ' HB3' ' HZ2' ' B' ' 75' ' ' LYS . 6.6 mtpm? 47.67 52.18 12.98 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.302 -0.863 . . . . 3.27 109.521 -176.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.488 ' CA ' HD12 ' B' ' 82' ' ' ILE . . . -81.01 2.01 82.54 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.028 -0.987 . . . . 2.92 114.617 -166.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 69.49 -80.3 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.537 0.684 . . . . 3.84 111.132 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -135.36 126.44 27.91 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.561 -1.199 . . . . 2.43 110.043 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 26' ' ' ILE . 35.6 tp -59.84 -42.35 93.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.811 -1.086 . . . . 1.15 112.218 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.3 95.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.399 -0.364 . . . . 1.23 111.644 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.77 -37.16 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 2.3 110.033 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.488 HD12 ' CA ' ' B' ' 76' ' ' GLY . 58.2 mt -64.07 -57.09 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.969 -1.014 . . . . 1.22 111.331 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.641 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.8 mp -61.44 -28.92 69.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 1.14 111.273 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' MET . 44.8 t30 -57.49 -47.7 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 2.26 110.386 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -84.79 -8.49 58.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 2.01 111.184 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.0 68.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 1.7 111.84 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 55.2 m -92.66 130.73 38.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.024 -0.535 . . . . 3.46 109.924 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -106.12 128.34 53.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.165 0.507 . . . . 6.17 110.692 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.13 87.99 48.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 3.58 109.959 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.36 147.58 53.12 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.838 2.358 . . . . 4.64 111.931 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.02 97.48 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.961 0.41 . . . . 5.08 110.371 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.674 -0.693 . . . . 4.17 109.41 -179.107 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.055 0.455 . . . . 6.77 111.179 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 mmt -74.39 144.01 44.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 5.28 109.543 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 m -86.23 10.14 15.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.255 -0.429 . . . . 2.41 111.905 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.43 84.92 0.14 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.664 -0.698 . . . . 1.65 111.526 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -75.84 178.01 6.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.041 -0.527 . . . . 1.73 110.202 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.88 -46.02 78.4 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.769 0.285 . . . . 2.61 111.769 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.95 -36.04 81.32 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.765 0.317 . . . . 1.57 110.956 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.27 -42.64 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.211 0.529 . . . . 1.54 110.583 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.9 -46.0 79.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.54 -0.754 . . . . 1.12 110.504 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.51 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.99 110.998 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.51 80.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 1.08 110.774 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 28' ' ' ASN . 23.0 mt -70.42 -32.22 69.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.584 -0.28 . . . . 1.17 111.306 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.7 -50.95 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.472 -0.331 . . . . 1.05 110.876 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.47 -25.72 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.24 110.431 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t-20 -62.69 -36.24 82.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 1.59 110.717 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CE2' HD12 ' A' ' 33' ' ' ILE . 49.1 t80 -72.73 -46.77 51.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 2.15 110.836 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.9 -40.02 94.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 2.13 111.384 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 p -63.61 -32.33 73.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 1.79 110.895 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 m -66.62 -42.64 86.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.894 0.378 . . . . 1.45 110.436 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 29' ' ' TYR . 54.9 mt -58.27 -49.78 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.821 -0.627 . . . . 1.08 111.149 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.14 -28.73 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.367 -0.379 . . . . 0.47 111.384 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.59 -48.41 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.636 0.255 . . . . 2.22 111.087 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -90.34 2.93 55.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 2.64 111.319 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp 57.19 54.94 6.32 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.483 -0.78 . . . . 3.07 110.588 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.83 -19.28 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.854 0.835 . . . . 2.12 108.968 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.504 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.0 tt -111.79 160.48 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.676 -1.147 . . . . 1.11 109.977 -177.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -78.39 170.11 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.697 -0.229 . . . . 2.23 111.245 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.79 -53.03 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.66 0.615 . . . . 2.19 112.66 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.86 -44.07 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 2.3 110.79 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.73 97.83 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.755 -0.657 . . . . 0.42 112.526 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.46 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 1.15 110.634 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.12 -37.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 1.84 110.538 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 t -61.97 -45.11 95.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.648 -0.706 . . . . 1.26 110.034 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HE1' ' A' ' 51' ' ' MET . 81.8 mt -61.83 -22.08 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.309 . . . . 1.13 111.205 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.69 -43.61 65.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.692 -0.231 . . . . 0.53 111.005 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.48 -31.13 45.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.448 -0.575 . . . . 0.36 109.448 177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB3' ' SG ' ' B' ' 53' ' ' CYS . . . -66.69 -34.73 78.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 1.13 110.431 174.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.403 ' HE1' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -60.17 -53.46 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.17 109.886 179.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.51 -38.94 91.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 1.99 110.51 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' B' ' 50' ' ' ALA . 10.7 t -55.3 -57.12 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.68 -0.691 . . . . 1.54 111.181 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.83 -37.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.12 110.534 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 1.05 110.622 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.88 -47.6 71.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 2.66 111.0 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 1.06 112.229 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.647 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 62.9 m-85 -93.93 -19.29 21.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.036 0.384 . . . . 2.18 112.036 -177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 47.96 4.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.783 -0.722 . . . . 0.43 113.193 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' A' ' 60' ' ' PHE . 40.4 p90 -142.76 170.43 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.148 -0.316 . . . . 2.14 110.148 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -107.78 153.77 22.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.255 -0.43 . . . . 2.33 110.388 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -64.64 -20.31 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 4.25 111.179 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.06 -11.06 53.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.365 0.603 . . . . 3.2 110.472 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.56 48.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 1.28 111.325 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 6.0 p -60.38 -44.12 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.66 -0.245 . . . . 0.54 111.003 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.0 m -65.39 -32.63 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 2.08 110.687 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.03 -44.01 79.48 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.92 -0.657 . . . . 0.82 111.77 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.89 -39.75 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.961 0.41 . . . . 1.16 110.556 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 97.5 mt -66.37 -38.5 87.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 1.23 110.508 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.49 -31.2 78.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 1.25 111.853 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.11 -39.32 75.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.205 0.526 . . . . 3.53 110.613 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 p -88.04 -166.98 1.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.863 -0.608 . . . . 2.16 111.393 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.98 -19.87 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.505 0.669 . . . . 2.64 109.88 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.99 38.36 0.71 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.36 -0.837 . . . . 2.4 110.907 -170.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -59.39 -33.19 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.213 -0.903 . . . . 3.27 110.289 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.35 58.17 0.57 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.48 -0.782 . . . . 2.92 111.233 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.505 ' HG2' HH11 ' B' ' 88' ' ' ARG . 57.8 mm-40 -135.12 161.22 35.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 3.84 111.395 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -127.48 129.65 47.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.063 -0.971 . . . . 2.43 108.391 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.4 tp -46.62 -54.68 9.01 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.802 0.667 . . . . 1.15 112.802 -170.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.85 78.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.389 -0.368 . . . . 1.23 111.966 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.93 -36.23 83.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.389 0.614 . . . . 2.3 110.154 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.74 -49.06 83.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.206 -0.906 . . . . 1.23 110.485 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.15 -36.07 83.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 1.14 111.052 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.49 -34.52 74.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.07 -0.514 . . . . 2.26 110.692 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.0 m -83.08 -9.91 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.844 -0.616 . . . . 2.01 111.098 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.73 50.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.446 . . . . 1.71 111.004 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -82.62 146.77 28.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.016 -0.538 . . . . 3.45 110.36 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' B' ' 77' ' ' GLN . 6.3 ptm180 -168.08 149.4 5.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.469 -0.332 . . . . 6.16 110.447 -175.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.5 t -116.46 87.3 20.16 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 3.58 110.404 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 6.0 Cg_exo -78.63 87.28 1.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.851 2.367 . . . . 4.64 110.858 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -59.3 108.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 5.08 110.577 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.379 -0.819 . . . . 4.17 110.432 -175.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.162 0.506 . . . . 6.76 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 24.6 mmt -74.34 144.44 44.46 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.826 -0.625 . . . . 5.27 109.474 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.5 m -86.64 10.18 16.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.191 -0.459 . . . . 2.42 111.731 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.34 85.06 0.14 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.761 -0.654 . . . . 1.65 111.512 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.85 177.75 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.114 -0.494 . . . . 1.73 110.224 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.68 -45.94 77.69 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.862 0.319 . . . . 2.61 111.862 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -36.06 81.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.341 . . . . 1.58 111.034 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.02 -42.88 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 1.54 110.66 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 83.3 mt -68.84 -45.96 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.405 -0.816 . . . . 1.12 110.419 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.56 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.004 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 1.08 110.809 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.418 ' HA ' ' HB3' ' B' ' 28' ' ' ASN . 23.4 mt -70.19 -32.41 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.474 -0.33 . . . . 1.17 111.36 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.53 -51.11 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 1.05 110.894 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.32 -25.82 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.23 110.501 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.8 t-20 -62.53 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.829 -0.623 . . . . 1.58 110.685 175.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' B' ' 33' ' ' ILE . 49.2 t80 -72.53 -46.87 52.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 2.15 110.809 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 2.14 111.426 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -63.63 -32.35 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 1.79 111.021 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -66.52 -42.47 87.25 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 1.45 110.688 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.52 HD12 ' CE2' ' B' ' 29' ' ' TYR . 55.1 mt -58.48 -49.77 81.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.763 -0.653 . . . . 1.08 111.117 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -73.98 -28.93 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.375 -0.375 . . . . 0.47 111.3 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.47 -48.27 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 2.22 111.103 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.48 2.96 55.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.836 0.351 . . . . 2.64 111.239 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp 57.19 54.79 6.47 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.558 -0.746 . . . . 3.07 110.65 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.72 -19.27 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.836 0.827 . . . . 2.11 108.98 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.506 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.0 tt -112.04 160.07 11.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.604 -1.18 . . . . 1.11 110.008 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -78.01 170.36 16.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.826 -0.17 . . . . 2.24 111.245 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -52.02 -52.96 47.34 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.545 0.572 . . . . 2.19 112.545 -174.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -60.71 -44.2 96.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 2.29 110.816 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.8 97.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.42 112.34 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.42 85.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 1.15 110.536 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.03 -37.64 88.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.919 -0.582 . . . . 1.84 110.569 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.1 t -62.05 -45.19 94.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.619 -0.719 . . . . 1.26 110.01 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.69 -22.27 65.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 1.13 111.311 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.61 -43.55 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.607 -0.27 . . . . 0.53 111.093 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.4 -31.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.575 -0.528 . . . . 0.36 109.575 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.681 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -66.66 -34.67 78.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.814 -0.63 . . . . 1.13 110.474 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -53.3 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 1.17 109.921 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.52 -39.1 92.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.516 -0.765 . . . . 1.99 110.545 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 50' ' ' ALA . 10.7 t -55.2 -57.18 12.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.747 -0.66 . . . . 1.54 111.225 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.74 -37.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 1.12 110.535 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.4 m -60.3 -49.22 78.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.05 110.592 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.85 -47.66 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 2.66 111.03 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.2 98.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 1.06 112.17 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.665 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 63.5 m-85 -93.73 -19.32 21.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.021 0.378 . . . . 2.17 112.021 -176.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.4 47.87 5.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.845 -0.693 . . . . 0.43 113.201 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' B' ' 60' ' ' PHE . 40.3 p90 -142.53 170.55 15.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.042 -0.355 . . . . 2.14 110.042 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.02 153.7 22.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 2.33 110.451 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -64.64 -20.29 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 4.25 111.107 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -86.23 -11.03 53.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.369 0.604 . . . . 3.19 110.251 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.46 48.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.125 -0.489 . . . . 1.28 111.299 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -60.51 -44.21 95.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.662 -0.244 . . . . 0.53 110.945 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 59.9 m -65.19 -32.8 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 2.07 110.592 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.86 -44.07 80.94 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.905 -0.664 . . . . 0.81 111.826 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.9 -39.74 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 1.15 110.585 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 97.5 mt -66.38 -38.52 87.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.23 110.492 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.45 -31.19 78.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 1.24 111.887 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.01 -39.45 75.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 3.53 110.583 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -87.97 -167.14 1.78 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.17 111.377 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.81 -19.82 57.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.541 0.686 . . . . 2.64 109.91 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -85.01 38.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.362 -0.835 . . . . 2.4 110.942 -170.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.53 -32.98 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 3.27 110.275 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.47 57.75 0.57 Allowed Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.325 -0.852 . . . . 2.92 111.519 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.473 ' HG2' HH11 ' A' ' 88' ' ' ARG . 58.2 mm-40 -134.71 161.33 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.199 0.524 . . . . 3.84 111.381 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -127.55 129.72 47.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.013 -0.994 . . . . 2.43 108.376 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.415 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 59.6 tp -46.72 -54.65 9.24 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.832 0.678 . . . . 1.15 112.832 -170.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.98 78.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 1.23 111.96 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.81 -36.23 83.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 2.3 110.106 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.79 -49.09 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.178 -0.919 . . . . 1.22 110.426 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.14 -36.12 83.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 1.14 110.958 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.47 -34.44 74.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.127 0.489 . . . . 2.26 110.604 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.2 m -83.26 -9.5 59.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 2.01 111.113 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.22 50.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.106 0.479 . . . . 1.7 110.921 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.9 p -82.89 146.63 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.949 -0.568 . . . . 3.46 110.374 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.505 HH11 ' HG2' ' A' ' 77' ' ' GLN . 6.2 ptm180 -167.93 149.56 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.312 -0.403 . . . . 6.17 110.412 -175.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.54 86.89 19.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 3.58 110.539 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 5.9 Cg_exo -78.34 87.22 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.843 2.362 . . . . 4.64 110.843 176.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.4 108.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 5.08 110.599 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.543 -0.742 . . . . 4.17 110.26 -175.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 16' ' ' SER . 23.7 ptm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.913 -0.403 . . . . 6.77 109.913 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.2 mtp 66.54 -3.77 0.82 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.455 0.702 . . . . 5.28 110.965 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 14' ' ' MET . 51.3 m -160.04 163.52 33.91 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.325 -1.361 . . . . 2.41 107.325 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.63 94.07 6.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.788 0.327 . . . . 1.65 110.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -76.41 158.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.73 110.281 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.7 -54.01 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 2.61 111.164 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.15 -36.83 80.84 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.916 -0.584 . . . . 1.57 111.662 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.06 -42.73 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.039 0.447 . . . . 1.54 111.009 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -66.28 -48.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.748 -0.66 . . . . 1.12 110.229 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.41 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.99 110.657 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.98 76.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.717 -0.674 . . . . 1.08 111.096 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD12 ' CG ' ' A' ' 74' ' ' PHE . 88.1 mt -66.55 -39.67 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.17 -0.468 . . . . 1.17 110.988 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.61 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 1.05 111.321 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.38 -35.61 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.948 -0.301 . . . . 0.24 110.97 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.72 -31.44 68.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 1.59 110.369 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.616 ' HE1' ' CE2' ' A' ' 29' ' ' TYR . 34.5 t80 -66.29 -52.1 50.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.05 -0.352 . . . . 2.15 110.05 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -59.49 -38.17 80.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.916 0.388 . . . . 2.13 110.569 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -63.61 -42.26 98.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.598 . . . . 1.79 110.782 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 p -75.94 -20.93 57.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.679 0.276 . . . . 1.45 111.124 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.634 HD12 ' CE2' ' A' ' 29' ' ' TYR . 55.1 mt -65.83 -54.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.052 0.453 . . . . 1.08 110.138 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 m -71.88 -20.72 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.919 -0.582 . . . . 0.47 110.881 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.815 -0.63 . . . . 2.22 111.037 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.63 16.7 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 2.64 111.684 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 55.4 68.38 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.223 -0.899 . . . . 3.07 111.39 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -106.34 5.66 29.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.649 -0.705 . . . . 2.12 109.99 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 14.8 tt -137.3 159.81 35.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.073 -0.967 . . . . 1.11 110.047 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -66.6 152.79 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.394 . . . . 2.23 110.842 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -51.43 -47.83 62.88 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.737 0.303 . . . . 2.19 111.404 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.36 -46.7 83.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 2.3 110.725 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -66.41 -35.14 89.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.42 112.521 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.33 90.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.206 0.527 . . . . 1.15 110.219 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.15 -42.61 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.818 . . . . 1.84 110.463 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -60.64 -38.72 85.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 1.26 110.82 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.11 -27.47 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 1.13 111.557 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -54.22 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.061 -0.256 . . . . 0.53 111.158 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.94 -35.9 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.967 0.413 . . . . 0.36 110.286 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.127 -0.488 . . . . 1.13 110.736 177.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.411 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 12.9 ttm -63.7 -40.39 96.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.515 . . . . 1.17 111.529 -175.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.13 -38.19 87.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.629 -0.508 . . . . 1.99 109.629 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.1 m -72.06 -34.81 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.503 -0.771 . . . . 1.54 111.197 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.3 mt -62.67 -48.46 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 109.426 -0.583 . . . . 1.12 109.426 174.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.671 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.2 m -61.97 -44.84 95.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.345 -0.843 . . . . 1.05 110.47 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.51 -37.19 82.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.579 -0.737 . . . . 2.66 110.816 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -66.75 -51.57 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.06 112.059 -176.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.663 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 55.5 m-85 -85.51 -6.67 59.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.775 0.321 . . . . 2.18 111.671 -176.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.14 42.38 19.47 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.996 -0.621 . . . . 0.43 112.898 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.626 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 4.4 p90 -139.29 -177.68 5.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.59 -0.522 . . . . 2.14 109.59 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.82 151.53 37.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.91 0.386 . . . . 2.33 110.84 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -62.93 -23.17 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.549 -0.751 . . . . 4.25 110.347 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.44 -14.47 40.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 3.2 110.626 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.79 57.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 1.28 111.111 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.09 -33.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.54 110.841 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -64.94 -37.62 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 2.08 110.868 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -39.9 72.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.847 -0.692 . . . . 0.82 111.844 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.17 -52.17 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.16 110.527 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 83.5 mt -66.73 -13.88 61.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 1.23 111.325 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.83 -30.68 72.51 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.696 -0.764 . . . . 1.25 111.857 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.93 -34.29 10.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 3.53 110.524 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -63.69 140.97 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.16 111.543 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.3 4.16 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 2.64 111.01 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CG ' HD12 ' A' ' 25' ' ' LEU . 40.3 m-85 -85.52 -7.46 58.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.889 -0.596 . . . . 2.4 109.882 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 19.2 ptmt -56.51 139.01 50.81 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.454 -0.794 . . . . 3.27 111.182 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.49 -35.68 4.74 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.882 -0.675 . . . . 2.92 111.616 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -111.64 177.42 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.852 -0.425 . . . . 3.84 109.852 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -119.52 169.98 9.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.772 -0.455 . . . . 2.43 109.772 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.1 tp -55.42 -49.26 72.88 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.9 0.333 . . . . 1.15 111.9 -175.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.73 76.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.06 0.393 . . . . 1.23 112.06 -174.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.77 -39.2 93.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.421 0.629 . . . . 2.3 109.949 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 92.2 mt -60.09 -49.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.062 -0.972 . . . . 1.23 110.521 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.04 -35.09 79.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.71 -0.677 . . . . 1.14 110.77 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.88 -36.33 74.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.179 0.514 . . . . 2.26 110.204 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -78.52 -10.22 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 2.01 111.054 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.89 50.48 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.055 0.455 . . . . 1.71 110.93 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -80.24 71.75 7.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.429 0.633 . . . . 3.45 109.891 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' O ' ' HD3' ' A' ' 90' ' ' PRO . 42.9 mtp180 -67.28 167.4 12.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.194 -0.912 . . . . 6.16 111.581 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.11 85.69 15.74 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 3.58 110.383 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 1.1 Cg_endo -83.42 89.8 1.03 Allowed 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.223 2.615 . . . . 4.64 111.814 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.63 124.35 27.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.997 -0.547 . . . . 5.08 111.338 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.588 -0.72 . . . . 4.17 109.668 178.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.498 ' C ' ' H ' ' B' ' 16' ' ' SER . 23.7 ptm . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 109.961 -0.385 . . . . 6.76 109.961 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.3 mtp 66.42 -3.55 0.83 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.55 0.74 . . . . 5.27 110.933 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.498 ' H ' ' C ' ' B' ' 14' ' ' MET . 49.2 m -160.23 163.31 33.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.315 -1.365 . . . . 2.42 107.315 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.65 94.15 6.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.751 0.31 . . . . 1.65 110.378 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -76.62 158.5 31.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.207 -0.452 . . . . 1.73 110.379 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.49 -54.04 37.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 2.61 111.123 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.17 -36.79 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 1.58 111.705 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 -42.72 84.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 1.54 111.01 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 63.1 mt -66.21 -48.15 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.635 . . . . 1.12 110.244 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.31 76.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.85 -0.613 . . . . 1.0 110.688 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.0 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.684 . . . . 1.08 111.031 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.51 HD12 ' CG ' ' B' ' 74' ' ' PHE . 88.6 mt -66.54 -39.64 88.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.126 -0.488 . . . . 1.17 111.068 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.54 -50.99 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 1.05 111.374 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.32 -35.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.955 -0.298 . . . . 0.23 110.96 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -70.84 -31.41 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.751 0.31 . . . . 1.58 110.288 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.613 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 34.7 t80 -66.17 -52.26 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.016 -0.364 . . . . 2.15 110.016 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -59.37 -38.2 79.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.954 0.407 . . . . 2.14 110.642 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -63.49 -42.41 98.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 1.79 110.832 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.7 p -75.89 -20.85 57.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.667 0.27 . . . . 1.45 111.148 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.637 HD12 ' CE2' ' B' ' 29' ' ' TYR . 55.0 mt -65.67 -54.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 1.08 110.221 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.5 m -71.85 -20.69 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.47 110.935 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.41 -49.21 74.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.73 -0.668 . . . . 2.22 111.019 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.57 16.43 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 2.64 111.631 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 55.5 68.46 0.86 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.247 -0.888 . . . . 3.07 111.355 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.42 5.58 29.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 2.11 109.883 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.443 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 14.9 tt -137.32 159.59 35.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.161 -0.927 . . . . 1.11 109.987 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -66.35 152.86 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.371 . . . . 2.24 110.779 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.38 -47.91 62.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.746 0.308 . . . . 2.19 111.406 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.3 -46.89 82.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.895 -0.593 . . . . 2.29 110.685 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -66.26 -35.25 90.07 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.784 -0.643 . . . . 0.42 112.576 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.5 90.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.31 0.576 . . . . 1.15 110.257 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.05 -42.87 84.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.31 -0.859 . . . . 1.84 110.383 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.7 m -60.5 -38.67 85.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 1.26 110.835 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.1 -27.69 69.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.395 -0.366 . . . . 1.13 111.541 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -54.33 22.93 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.029 -0.268 . . . . 0.53 111.227 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.98 -35.9 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.922 0.391 . . . . 0.36 110.248 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.13 110.641 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 13.0 ttm -63.71 -40.27 96.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 1.17 111.562 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.3 -38.02 87.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -72.08 -34.8 68.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.561 -0.745 . . . . 1.54 111.196 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.63 -48.46 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.44 -0.578 . . . . 1.12 109.44 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.663 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.1 m -62.06 -44.67 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.351 -0.841 . . . . 1.05 110.53 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.54 -37.24 83.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.523 -0.762 . . . . 2.66 110.813 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.444 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -66.81 -51.53 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.869 -0.605 . . . . 1.06 112.006 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.669 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 55.4 m-85 -85.24 -7.28 59.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.843 0.354 . . . . 2.17 111.534 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.63 42.18 18.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.015 -0.612 . . . . 0.43 112.815 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.65 ' HD2' ' CD1' ' B' ' 60' ' ' PHE . 4.4 p90 -139.22 -177.86 5.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 2.14 109.601 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.66 151.31 38.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.867 0.365 . . . . 2.33 110.738 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -62.68 -23.52 67.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.582 -0.735 . . . . 4.25 110.386 177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.82 -14.83 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.156 -0.474 . . . . 3.19 110.733 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.77 -3.79 57.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.28 111.037 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.12 -33.73 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.53 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -65.03 -37.41 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 2.07 110.979 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.19 -39.88 71.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.919 -0.658 . . . . 0.81 111.867 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.18 -52.51 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.889 0.376 . . . . 1.15 110.412 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 84.3 mt -66.38 -13.97 61.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.23 111.43 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.63 -30.95 72.95 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.72 -0.752 . . . . 1.24 111.733 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.94 -34.18 10.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.949 0.404 . . . . 3.53 110.472 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -63.73 140.98 58.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.17 111.509 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -76.28 4.22 9.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 2.64 111.06 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.51 ' CG ' HD12 ' B' ' 25' ' ' LEU . 40.3 m-85 -85.65 -7.33 58.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.83 -0.623 . . . . 2.4 109.875 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.535 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 19.2 ptmt -56.4 138.92 50.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.48 -0.782 . . . . 3.27 111.281 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.47 -35.67 4.74 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.951 -0.643 . . . . 2.92 111.654 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -111.66 177.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.91 -0.404 . . . . 3.84 109.91 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -119.48 169.62 9.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.819 -0.438 . . . . 2.43 109.819 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 57.1 tp -55.19 -49.23 72.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.782 0.325 . . . . 1.15 111.797 -175.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 1.23 112.082 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.84 -39.26 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.384 0.612 . . . . 2.3 109.946 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 92.0 mt -59.99 -49.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.072 -0.967 . . . . 1.22 110.525 175.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.88 -34.92 78.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 1.14 110.854 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.05 -36.22 74.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 2.26 110.27 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -78.99 -9.52 59.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 2.01 110.915 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.34 50.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 1.7 110.978 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -80.12 72.32 6.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.435 0.635 . . . . 3.46 109.795 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.456 ' O ' ' HD3' ' B' ' 90' ' ' PRO . 42.7 mtp180 -67.83 167.1 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.086 -0.961 . . . . 6.17 111.536 -175.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.7 t -115.71 85.89 14.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.405 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 1.0 OUTLIER -83.42 90.06 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.25 2.633 . . . . 4.64 111.742 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.92 124.27 27.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 5.08 111.256 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.586 -0.734 . . . . 4.17 109.686 178.026 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.449 ' H2 ' ' CD ' ' A' ' 21' ' ' GLU . 96.7 mmm . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.337 0.113 . . . . 6.77 110.729 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 69.0 mtm 68.73 -62.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.711 0.804 . . . . 5.28 111.104 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.615 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 19.6 m -76.87 102.14 6.22 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 109.132 -0.692 . . . . 2.41 109.132 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.29 98.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.239 0.962 . . . . 1.65 112.024 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.84 166.34 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.73 109.671 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -51.07 -50.19 59.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.726 0.269 . . . . 2.61 111.726 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.48 -36.35 82.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.57 111.609 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' CD ' ' H2 ' ' A' ' 14' ' ' MET . 43.2 mt-10 -69.84 -41.09 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 1.54 110.466 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.3 -50.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 1.12 110.758 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -32.58 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.99 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.85 86.88 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.08 110.777 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 mt -69.8 -35.24 74.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.515 -0.311 . . . . 1.17 110.986 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.56 -53.74 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.186 -0.461 . . . . 1.05 111.149 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.83 -31.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.24 110.643 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.99 -41.3 91.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 1.59 110.346 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -60.37 -48.31 82.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.529 . . . . 2.15 110.463 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 2.13 110.483 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 49.6 m -63.84 -35.81 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 1.79 110.62 177.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 39.0 t -63.12 -41.81 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.45 110.717 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 37.8 mt -63.85 -44.18 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 1.08 111.002 -177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.92 -21.13 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.47 111.009 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 31' ' ' SER . 11.6 tp10 -69.47 -44.94 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.316 -0.402 . . . . 2.22 110.317 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 32' ' ' SER . 60.3 pttt -86.94 1.94 50.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.399 0.619 . . . . 2.64 110.725 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttm 54.49 52.35 12.51 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.479 -1.237 . . . . 3.07 111.66 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.54 -35.31 12.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.301 -0.629 . . . . 2.12 109.301 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -83.8 151.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 1.11 110.399 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -76.45 163.26 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 2.23 111.397 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -50.71 58.21 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.606 0.595 . . . . 2.19 112.606 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.88 -41.32 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 2.3 110.767 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.74 95.57 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.854 -0.689 . . . . 0.42 111.96 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.1 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.747 0.308 . . . . 1.15 110.868 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.61 -39.04 93.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 1.84 110.713 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -61.64 -40.38 94.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.956 -0.565 . . . . 1.26 110.465 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.8 -31.46 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.13 111.227 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -63.68 -58.5 6.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.292 . . . . 0.53 110.724 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.43 -35.38 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.924 0.392 . . . . 0.36 110.568 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.83 -40.26 96.87 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.138 -0.483 . . . . 1.13 110.584 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.442 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 8.0 ttm -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.03 -0.532 . . . . 1.17 111.545 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.86 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.109 0.481 . . . . 1.99 110.176 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.2 m -70.84 -45.26 64.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 1.54 110.858 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 65.5 mt -57.02 -53.51 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.207 0.527 . . . . 1.12 110.278 177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -59.44 -48.26 82.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.399 -0.819 . . . . 1.05 111.191 -176.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -69.79 -29.26 66.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 2.66 111.069 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.99 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 1.06 111.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 44.5 m-85 -87.52 -28.77 21.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.426 . . . . 2.18 111.256 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.67 39.52 2.19 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.541 -0.837 . . . . 0.43 113.024 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.608 ' HE1' ' CE2' ' A' ' 60' ' ' PHE . 46.5 p90 -140.41 165.95 26.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.741 -0.466 . . . . 2.14 109.741 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.73 151.09 21.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.653 -0.249 . . . . 2.33 110.706 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -57.35 -44.79 84.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.391 0.615 . . . . 4.25 109.787 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -75.8 4.38 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.478 -0.783 . . . . 3.2 111.259 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.33 -1.58 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.602 -0.272 . . . . 1.28 111.605 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.0 -33.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 0.54 110.97 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.58 -40.21 93.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.232 -0.44 . . . . 2.08 110.824 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.88 -38.13 84.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.952 -0.642 . . . . 0.82 112.0 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.61 -52.33 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.337 . . . . 1.16 110.458 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 95.1 mt -64.0 -34.16 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.585 . . . . 1.23 111.272 -178.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 75' ' ' LYS . . . -66.32 -34.55 88.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.951 -0.642 . . . . 1.25 112.32 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.09 -46.5 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 3.53 110.431 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.6 t -63.63 167.23 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.634 . . . . 2.16 110.912 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 7.5 mm-40 -86.38 12.49 10.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 2.64 110.981 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.04 4.38 51.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.292 0.568 . . . . 2.4 110.456 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 16.4 pttm -61.76 122.16 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 3.27 110.333 173.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.47 -0.78 75.01 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.865 -0.684 . . . . 2.92 111.97 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -118.09 151.75 36.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.788 0.328 . . . . 3.84 110.372 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -120.88 146.7 46.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.401 -0.363 . . . . 2.43 110.256 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.2 -55.52 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 1.15 111.478 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.3 88.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 1.23 111.687 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.46 -41.34 97.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 2.3 110.412 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 mt -58.55 -50.75 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.763 . . . . 1.23 111.151 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.98 -38.78 89.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 1.14 111.011 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.675 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 10.1 t30 -65.68 -40.09 92.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.234 -0.439 . . . . 2.26 110.804 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -70.51 -38.31 74.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 2.01 110.775 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.41 33.64 1.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.304 -0.407 . . . . 1.71 111.567 -176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -77.21 134.86 38.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.361 -0.381 . . . . 3.45 110.219 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -92.19 164.84 13.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 6.16 110.816 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.7 t -116.71 94.57 44.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 3.58 109.737 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.28 126.32 13.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.171 2.58 . . . . 4.64 112.397 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -104.08 23.04 13.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 5.08 110.373 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.348 -0.842 . . . . 4.17 109.533 -179.867 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.458 ' H2 ' ' CD ' ' B' ' 21' ' ' GLU . 96.6 mmm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 110.701 -0.111 . . . . 6.76 110.701 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 69.7 mtm 68.49 -61.59 0.4 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.829 0.851 . . . . 5.27 111.043 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.675 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 19.4 m -77.2 102.15 6.5 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.08 -0.711 . . . . 2.42 109.08 175.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.37 98.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.204 0.94 . . . . 1.65 112.054 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.91 166.23 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 1.73 109.65 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -50.94 -50.26 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.692 0.256 . . . . 2.61 111.692 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.57 -36.17 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.58 111.612 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.458 ' CD ' ' H2 ' ' B' ' 14' ' ' MET . 44.1 mt-10 -69.99 -41.03 74.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.261 0.553 . . . . 1.54 110.558 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.31 -50.86 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.446 -0.797 . . . . 1.12 110.713 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.64 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.92 86.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.785 -0.643 . . . . 1.08 110.687 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 mt -69.68 -35.17 74.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 1.17 111.023 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 73.5 mt -60.62 -53.76 44.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.156 -0.474 . . . . 1.05 111.065 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.8 -31.74 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.23 110.609 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.05 -41.07 91.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.363 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -60.58 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 2.15 110.615 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.42 -38.76 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 2.14 110.486 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 50.3 m -63.86 -35.72 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 1.79 110.553 177.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 39.7 t -63.12 -42.03 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 1.45 110.734 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 37.5 mt -63.69 -44.13 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.08 111.076 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.08 -20.95 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.05 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' B' ' 31' ' ' SER . 11.5 tp10 -69.51 -44.78 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.089 0.471 . . . . 2.22 110.352 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 32' ' ' SER . 60.2 pttt -87.14 1.88 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.264 0.554 . . . . 2.64 110.693 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 54.62 52.33 12.42 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.479 -1.237 . . . . 3.07 111.583 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -94.48 -35.22 12.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.352 -0.61 . . . . 2.11 109.352 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.417 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -83.85 151.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.729 . . . . 1.11 110.221 -177.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -76.43 163.18 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.253 -0.431 . . . . 2.24 111.335 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.11 -50.82 58.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.48 0.548 . . . . 2.19 112.48 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -60.63 -41.33 94.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 2.29 110.77 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.68 95.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.78 -0.724 . . . . 0.42 112.051 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.19 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.278 . . . . 1.15 110.75 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.54 -39.18 93.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.43 . . . . 1.84 110.687 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -61.56 -40.36 94.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.613 . . . . 1.26 110.452 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.83 -31.3 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 1.13 111.237 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.64 -58.53 6.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 0.53 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -35.37 69.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.93 0.395 . . . . 0.36 110.565 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.21 96.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.13 110.63 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.443 ' HE2' ' HB2' ' B' ' 51' ' ' MET . 8.0 ttm -64.6 -42.43 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.121 -0.49 . . . . 1.17 111.587 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -35.96 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.176 0.512 . . . . 1.99 110.23 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.88 -45.44 64.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.703 -0.68 . . . . 1.54 110.882 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.427 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 65.3 mt -57.01 -53.62 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.186 0.517 . . . . 1.12 110.218 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -59.32 -48.24 82.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.416 -0.811 . . . . 1.05 111.194 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.03 -28.99 65.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 2.66 111.089 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.68 83.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.92 0.391 . . . . 1.06 111.264 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 44.4 m-85 -87.49 -29.26 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 2.17 111.299 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.13 39.13 2.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.599 -0.81 . . . . 0.43 113.018 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.596 ' HD1' ' CD2' ' B' ' 60' ' ' PHE . 46.6 p90 -140.01 166.1 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.705 -0.48 . . . . 2.14 109.705 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.79 151.24 21.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.674 -0.239 . . . . 2.33 110.828 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.345 0.593 . . . . 4.25 109.871 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -75.82 4.53 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.484 -0.78 . . . . 3.19 111.207 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.39 -1.63 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.556 -0.293 . . . . 1.28 111.49 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.86 -33.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.53 111.02 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.64 -40.01 93.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.211 -0.45 . . . . 2.07 110.925 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.17 -37.9 82.15 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.977 -0.63 . . . . 0.81 112.031 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.73 -52.38 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 1.15 110.472 178.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 95.0 mt -63.85 -34.04 77.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 1.23 111.352 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.58 -34.31 87.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.946 -0.645 . . . . 1.24 112.329 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.23 -46.54 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 3.53 110.421 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -63.64 167.27 5.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 2.17 110.853 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.25 12.33 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.915 -0.584 . . . . 2.64 111.002 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -96.96 4.29 51.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 2.4 110.437 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 16.4 pttm -61.72 122.36 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.455 -0.793 . . . . 3.27 110.317 173.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.86 75.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.901 -0.666 . . . . 2.92 111.907 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -118.04 151.7 36.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.742 0.306 . . . . 3.84 110.438 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -120.97 146.65 46.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.382 . . . . 2.43 110.204 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.01 -55.69 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.794 0.33 . . . . 1.15 111.461 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.07 87.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.566 . . . . 1.23 111.848 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.68 -41.32 97.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.126 -0.488 . . . . 2.3 110.415 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 32.5 mt -58.36 -50.89 77.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.518 -0.765 . . . . 1.22 111.127 176.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.92 -38.61 89.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 1.14 111.033 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.615 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 9.8 t30 -65.92 -39.87 90.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.169 -0.469 . . . . 2.26 110.727 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -70.61 -38.39 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.008 -0.542 . . . . 2.01 110.697 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.44 33.58 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.559 -176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.6 p -77.29 134.66 38.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 3.46 110.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 6.1 ptm180 -92.16 164.7 13.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.482 -0.326 . . . . 6.17 110.751 -177.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -116.57 94.68 44.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 3.58 109.818 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.51 126.38 13.41 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.006 2.47 . . . . 4.64 112.366 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -103.8 22.97 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.442 0.639 . . . . 5.08 110.424 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.417 -0.81 . . . . 4.17 109.499 -179.7 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' A' ' 15' ' ' MET . 46.7 ttm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.295 -0.261 . . . . 6.77 110.295 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' A' ' 14' ' ' MET . 63.2 mtt 74.86 151.85 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.533 0.733 . . . . 5.28 111.9 177.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m 62.81 24.12 14.37 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.407 -0.815 . . . . 2.41 111.504 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HB1' ' ND2' ' B' ' 84' ' ' ASN . . . 52.56 74.93 0.25 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.484 -0.78 . . . . 1.65 110.536 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -72.77 162.64 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.681 -0.69 . . . . 1.73 110.342 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -53.6 -46.62 70.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 2.61 110.045 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 8.7 pt-20 -54.52 -45.1 73.27 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.401 -0.818 . . . . 1.57 111.731 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 55.5 mt-10 -70.09 -44.46 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.54 111.049 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.25 -49.8 79.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.979 -0.555 . . . . 1.12 110.448 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.29 86.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.99 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.48 88.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 1.08 110.905 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.85 -39.06 87.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.258 -0.428 . . . . 1.17 110.691 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.5 mt -63.03 -51.38 72.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 1.05 111.294 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.461 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 32.1 m -67.93 -35.89 73.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.24 111.08 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -69.05 -32.45 71.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 1.59 109.988 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.47 -52.27 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 2.15 110.388 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.637 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 16.3 m-85 -60.31 -40.93 92.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 2.13 110.905 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -64.5 -34.5 78.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.127 -0.488 . . . . 1.79 110.5 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.61 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 8.6 t -72.7 -24.76 61.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.599 -0.273 . . . . 1.45 110.414 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 59.4 mt -64.52 -52.58 53.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.716 0.294 . . . . 1.08 110.564 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.47 -29.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.47 110.088 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 32' ' ' SER . 31.7 tt0 -54.53 -54.92 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.189 -0.914 . . . . 2.22 111.224 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -95.86 18.28 13.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 2.64 111.584 -176.499 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 54.46 51.57 13.9 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.201 -0.908 . . . . 3.07 111.525 174.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -99.79 -2.33 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.219 0.533 . . . . 2.12 110.542 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.3 tt -133.17 151.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.497 -0.774 . . . . 1.11 110.037 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.58 176.34 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.514 -0.312 . . . . 2.23 110.781 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -52.66 -50.06 63.97 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.631 0.582 . . . . 2.19 112.433 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.72 -48.48 77.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 2.3 111.138 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.73 -35.94 74.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.725 -0.75 . . . . 0.42 112.392 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.36 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.619 0.247 . . . . 1.15 111.151 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -66.22 -31.13 71.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 1.84 110.726 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.207 0.527 . . . . 1.26 109.881 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.3 mt -71.21 -23.13 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 1.13 111.183 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -70.17 -49.76 47.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.736 -0.211 . . . . 0.53 111.009 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.96 -39.1 84.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 110.084 -0.339 . . . . 0.36 110.084 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.29 86.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 1.13 110.674 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.461 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.3 tpp -53.2 -50.34 64.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.871 -0.604 . . . . 1.17 111.426 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.88 -38.83 92.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.367 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.42 -41.29 80.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.168 -0.469 . . . . 1.54 111.629 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.28 -47.44 92.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.276 0.56 . . . . 1.12 109.73 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.437 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.8 m -62.42 -45.74 91.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.476 -0.784 . . . . 1.05 110.519 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.95 -43.44 98.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 2.66 111.311 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -59.46 -44.88 92.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.906 -0.588 . . . . 1.06 111.896 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.624 ' HD1' ' CD2' ' A' ' 58' ' ' PHE . 33.4 m-85 -83.98 -27.26 28.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.024 0.44 . . . . 2.18 111.378 -178.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.88 4.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.56 -0.828 . . . . 0.43 113.115 175.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 60' ' ' PHE . 47.5 p90 -131.19 162.61 29.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.756 -0.461 . . . . 2.14 109.756 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.7 23.92 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.749 -0.463 . . . . 2.33 109.749 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -62.2 -26.98 68.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.895 -0.593 . . . . 4.25 110.808 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.49 -4.82 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 3.2 110.876 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.19 -8.0 46.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 1.28 111.098 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.24 -33.73 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.502 -0.317 . . . . 0.54 110.442 178.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.76 -34.92 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 2.08 110.168 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.08 46.93 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.824 -0.703 . . . . 0.82 111.669 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.82 -48.02 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 1.16 110.561 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.67 4.37 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.344 -0.389 . . . . 1.23 111.32 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.06 14.71 8.94 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.33 -0.708 . . . . 1.25 111.33 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.27 -49.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 3.53 110.249 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.443 ' HB3' ' HG2' ' A' ' 21' ' ' GLU . 16.2 m -77.9 171.97 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 2.16 110.168 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.42 -23.62 60.16 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.711 1.004 . . . . 2.64 113.711 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 74' ' ' PHE . 61.5 m-85 -88.59 59.35 5.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 2.4 112.066 -174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -97.87 135.8 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 3.27 109.663 174.1 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.47 140.36 10.45 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.763 -0.732 . . . . 2.92 112.104 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG3' ' NH1' ' B' ' 88' ' ' ARG . 32.4 mm-40 66.35 -179.48 0.2 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.321 0.581 . . . . 3.84 111.628 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -109.99 169.67 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.293 -0.632 . . . . 2.43 109.293 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.6 tp -56.27 -43.93 79.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 1.15 110.52 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.9 82.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.994 -0.548 . . . . 1.23 111.859 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.24 -42.24 81.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.289 0.566 . . . . 2.3 109.966 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 69.6 mt -58.29 -49.19 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 1.23 110.553 176.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.48 -29.99 70.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.894 -0.594 . . . . 1.14 111.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.468 ' ND2' ' HB1' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -60.0 -43.27 95.3 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.971 0.415 . . . . 2.26 110.595 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 p -86.26 -24.73 25.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.812 -0.631 . . . . 2.01 111.625 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.05 55.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.218 0.532 . . . . 1.71 111.416 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -85.89 93.39 8.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.119 -0.491 . . . . 3.45 109.963 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' NH1' ' HG3' ' B' ' 77' ' ' GLN . 69.8 mtt180 -70.98 132.23 44.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 6.16 111.925 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.47 87.98 51.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 3.58 109.686 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.39 105.07 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.948 2.432 . . . . 4.64 112.396 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.52 129.48 34.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.077 -0.51 . . . . 5.08 110.729 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.757 -0.64 . . . . 4.17 109.758 -179.554 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' B' ' 15' ' ' MET . 46.8 ttm . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.358 -0.238 . . . . 6.76 110.358 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.461 ' HB2' ' O ' ' B' ' 14' ' ' MET . 63.3 mtt 74.75 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.877 0.736 . . . . 5.27 112.033 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.1 m 62.73 24.41 14.53 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.283 -0.872 . . . . 2.42 111.457 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.468 ' HB1' ' ND2' ' A' ' 84' ' ' ASN . . . 52.42 74.62 0.27 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.414 -0.812 . . . . 1.65 110.658 -175.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -72.42 162.74 29.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.73 -0.668 . . . . 1.73 110.381 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.8 -46.63 71.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.45 . . . . 2.61 110.022 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.458 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 8.8 pt-20 -54.43 -45.25 72.98 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.228 -0.896 . . . . 1.58 111.678 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.458 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.0 mt-10 -69.87 -44.6 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.54 111.107 -174.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 59.3 mt -64.25 -49.83 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.942 -0.572 . . . . 1.12 110.428 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.18 85.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.9 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.51 88.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 1.08 110.893 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.91 -38.99 87.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 1.17 110.693 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.11 -51.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 1.05 111.361 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.466 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 31.6 m -68.04 -35.87 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.015 -0.274 . . . . 0.23 110.979 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.98 -32.56 72.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 1.58 109.987 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -64.47 -52.22 59.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.938 -0.574 . . . . 2.15 110.422 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.607 ' HE1' ' CE2' ' B' ' 30' ' ' PHE . 16.4 m-85 -60.21 -41.11 92.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 2.14 110.816 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.061 -0.518 . . . . 1.79 110.474 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.609 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 8.7 t -72.87 -24.71 60.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.61 -0.268 . . . . 1.45 110.447 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.417 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 59.0 mt -64.43 -52.53 54.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 1.08 110.566 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.54 -29.71 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.247 0.546 . . . . 0.47 110.111 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' B' ' 32' ' ' SER . 31.4 tt0 -54.52 -54.8 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.164 -0.925 . . . . 2.22 111.214 176.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.1 OUTLIER -95.91 18.26 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 2.64 111.603 -176.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.0 tptt 54.41 51.55 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.175 -0.921 . . . . 3.07 111.498 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -99.89 -2.09 35.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.547 . . . . 2.11 110.51 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.417 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.4 tt -133.26 151.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.543 -0.753 . . . . 1.11 109.881 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.77 176.16 7.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.353 -0.385 . . . . 2.24 110.767 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.48 -50.08 63.41 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.581 0.586 . . . . 2.19 112.581 -172.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.77 -48.5 77.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.904 0.383 . . . . 2.29 111.057 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -69.71 -36.02 74.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.612 -0.804 . . . . 0.42 112.403 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.09 70.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.533 0.206 . . . . 1.15 111.115 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -66.31 -31.45 72.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.937 0.398 . . . . 1.84 110.661 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -65.57 -38.82 90.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 1.26 110.007 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.09 -23.17 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.13 111.177 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.11 -49.89 46.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.728 -0.215 . . . . 0.53 111.015 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.82 -38.92 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.81 -0.356 . . . . 0.36 110.167 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.23 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 1.13 110.69 177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.466 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -53.22 -50.22 65.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.987 -0.552 . . . . 1.17 111.477 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.79 -38.91 92.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 1.99 110.542 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 81.6 m -68.38 -41.14 80.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 1.54 111.675 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -60.32 -47.47 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.226 0.536 . . . . 1.12 109.784 177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.6 m -62.34 -45.99 90.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.521 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.77 -43.57 97.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 2.66 111.262 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 1.06 111.773 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.612 ' HD1' ' CD2' ' B' ' 58' ' ' PHE . 33.5 m-85 -83.95 -27.1 28.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 2.17 111.402 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.73 36.33 4.31 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.72 -0.752 . . . . 0.43 113.083 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.635 ' HE1' ' CE2' ' B' ' 60' ' ' PHE . 47.1 p90 -131.54 162.57 29.97 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.895 -0.409 . . . . 2.14 109.895 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.6 23.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.145 -0.479 . . . . 2.33 109.821 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -62.09 -27.0 68.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 4.25 110.866 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.47 -4.87 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.366 . . . . 3.19 110.868 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.14 -7.81 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 1.28 111.025 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.0 p -61.37 -33.79 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.53 110.461 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -63.79 -34.69 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 2.07 110.171 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.84 -42.11 46.9 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.87 -0.681 . . . . 0.81 111.745 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.86 -47.86 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 1.15 110.514 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.97 4.65 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 1.23 111.246 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.51 15.23 8.62 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.289 -0.724 . . . . 1.24 111.289 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.5 -49.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.953 0.406 . . . . 3.53 110.271 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.442 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 16.2 m -77.85 172.04 14.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.615 . . . . 2.17 110.094 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.52 -23.58 60.03 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.782 1.03 . . . . 2.64 113.782 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' B' ' 74' ' ' PHE . 61.8 m-85 -88.59 59.34 5.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.272 0.558 . . . . 2.4 111.987 -174.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.428 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -97.98 135.73 39.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.734 -0.666 . . . . 3.27 109.695 173.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.76 140.17 10.28 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 2.92 112.029 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.469 ' HG3' ' NH1' ' A' ' 88' ' ' ARG . 31.9 mm-40 66.39 -179.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.359 0.599 . . . . 3.84 111.687 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -110.01 169.65 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.602 . . . . 2.43 109.436 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.2 -43.91 78.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.439 . . . . 1.15 110.644 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.03 82.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 1.23 111.778 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -57.15 -42.19 80.58 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.372 0.606 . . . . 2.3 109.969 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.24 -49.29 82.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.214 -0.903 . . . . 1.22 110.568 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.6 -29.95 70.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.59 . . . . 1.14 111.26 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.489 ' ND2' ' HB1' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -59.95 -43.34 95.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.048 0.451 . . . . 2.26 110.605 176.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.4 p -86.36 -24.47 25.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 2.01 111.572 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.21 55.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.181 0.515 . . . . 1.7 111.319 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -85.86 93.3 8.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.214 -0.448 . . . . 3.46 110.035 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.455 ' NH1' ' HG3' ' A' ' 77' ' ' GLN . 69.9 mtt180 -71.03 132.22 44.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 6.17 111.873 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.3 87.79 51.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.578 -0.737 . . . . 3.58 109.755 176.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.26 105.31 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.869 2.379 . . . . 4.64 112.321 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.66 129.14 34.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.069 -0.514 . . . . 5.08 110.703 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.715 -0.659 . . . . 4.17 109.863 -179.473 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.501 ' H1 ' ' HG3' ' A' ' 73' ' ' GLU . 23.1 ptt? . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.642 0.258 . . . . 6.77 110.315 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 61.4 mtt -150.0 -62.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 5.28 109.871 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 p -157.0 166.0 34.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.512 -0.767 . . . . 2.41 109.153 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB3' ' HB2' ' B' ' 84' ' ' ASN . . . -138.42 67.05 1.42 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.127 0.489 . . . . 1.65 110.476 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.41 151.57 30.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.896 -0.593 . . . . 1.73 109.449 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 18.9 pttm -53.01 -42.9 66.09 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.945 0.339 . . . . 2.61 111.74 -175.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.52 -39.22 83.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.796 0.331 . . . . 1.57 111.674 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.46 -38.1 74.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.458 0.647 . . . . 1.54 110.36 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.6 mt -68.52 -47.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.201 -0.908 . . . . 1.12 110.571 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.65 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.99 110.701 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.07 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 1.08 110.826 177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.56 -35.52 77.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.613 0.244 . . . . 1.17 110.992 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.15 -54.07 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.251 -0.431 . . . . 1.05 110.973 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.38 -30.12 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.24 110.907 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.76 -44.35 93.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.59 110.064 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.606 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 52.5 t80 -60.98 -49.04 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 2.15 110.957 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.631 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 21.2 m-85 -57.74 -43.91 85.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 2.13 110.606 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 m -66.64 -28.72 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.938 -0.573 . . . . 1.79 110.715 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 t -73.6 -32.87 64.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 1.45 110.462 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.595 HD12 ' CE2' ' A' ' 29' ' ' TYR . 53.2 mt -65.33 -43.46 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 1.08 110.424 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.75 -19.76 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.47 110.767 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.64 -45.49 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.22 110.066 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -93.01 -9.54 39.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.396 0.617 . . . . 2.64 110.649 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.44 58.71 3.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.573 -1.194 . . . . 3.07 111.16 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -89.91 -30.02 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.837 -0.801 . . . . 2.12 108.837 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 tt -87.27 155.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.157 -0.929 . . . . 1.11 110.637 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.26 146.76 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 2.23 110.176 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.76 -27.67 69.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.386 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -44.04 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.029 0.442 . . . . 2.3 110.264 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -69.77 -33.77 71.43 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.42 112.02 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -37.66 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.967 0.413 . . . . 1.15 110.293 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.93 -42.86 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.305 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -29.45 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.908 0.385 . . . . 1.26 110.639 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 72.5 mt -70.29 -27.54 64.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.481 -0.327 . . . . 1.13 110.492 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.31 -54.9 29.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.618 -0.264 . . . . 0.53 110.828 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.7 -37.12 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.981 0.419 . . . . 0.36 110.252 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.69 -34.42 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 1.13 110.987 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.517 ' HE2' ' CB ' ' A' ' 30' ' ' PHE . 12.4 tpp -58.21 -52.29 66.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 1.17 111.082 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.76 -31.64 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 1.99 110.85 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.8 m -62.89 -48.22 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 1.54 110.568 175.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.61 -45.3 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.223 0.535 . . . . 1.12 110.077 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 22.0 m -61.31 -48.55 80.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.412 -0.813 . . . . 1.05 111.219 -178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -65.41 -40.9 93.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 2.66 110.841 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.74 84.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 1.06 111.588 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' A' ' 19' ' ' LYS . 26.5 m-85 -85.35 -17.65 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.222 -0.445 . . . . 2.18 111.375 -177.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.04 43.98 6.15 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.073 -0.584 . . . . 0.43 113.217 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 60' ' ' PHE . 39.1 p90 -140.25 159.53 41.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 2.14 110.223 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.66 148.22 22.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.017 -0.538 . . . . 2.33 110.616 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -64.45 -18.5 64.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 4.25 111.488 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -96.66 -1.94 45.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.284 -0.417 . . . . 3.2 110.75 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.47 -0.19 30.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 1.28 111.025 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.79 -35.63 65.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.945 -0.57 . . . . 0.54 110.86 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 p -64.63 -36.05 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 2.08 110.751 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.12 -38.09 82.91 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.934 -0.651 . . . . 0.82 111.856 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.21 -41.19 88.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.019 0.438 . . . . 1.16 110.277 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.84 -1.27 16.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.997 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.78 -2.85 46.32 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.96 -0.638 . . . . 1.25 111.736 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -81.25 -45.17 16.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 3.53 110.346 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.3 m -125.43 -154.87 0.64 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.607 -0.724 . . . . 2.16 110.045 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG3' ' H1 ' ' A' ' 14' ' ' MET . 9.7 mm-40 -70.99 -112.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.123 0.264 . . . . 2.64 110.685 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 52.13 41.64 30.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.147 0.499 . . . . 2.4 110.934 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HB2' ' OE1' ' B' ' 91' ' ' GLU . 18.2 ptpt -138.97 164.51 29.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.827 -0.624 . . . . 3.27 110.663 -174.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.09 -53.57 4.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.195 -0.526 . . . . 2.92 112.117 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -101.98 142.42 33.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.868 -0.419 . . . . 3.84 109.868 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -79.24 173.87 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.257 -0.646 . . . . 2.43 109.257 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 83' ' ' LEU . 45.2 tp -54.46 -47.94 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.844 0.354 . . . . 1.15 110.641 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.96 95.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 1.23 111.678 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.9 -42.02 88.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.348 0.594 . . . . 2.3 109.935 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 50.9 mt -63.45 -49.41 82.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.129 -0.942 . . . . 1.23 111.437 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 79' ' ' LEU . 8.4 mp -62.99 -40.9 99.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 1.14 112.123 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' B' ' 17' ' ' ALA . 56.0 t30 -70.55 -44.34 67.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.806 0.336 . . . . 2.26 111.48 -176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.6 p -71.37 -6.46 40.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.506 0.558 . . . . 2.01 112.506 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.74 62.08 0.56 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.246 0.832 . . . . 1.71 113.246 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t 59.0 -167.32 0.16 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.517 0.675 . . . . 3.45 112.104 170.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -126.21 135.45 51.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.268 -0.878 . . . . 6.16 109.613 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.7 t -130.2 90.49 41.74 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.406 -0.361 . . . . 3.58 110.511 -176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.3 87.75 1.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.753 2.302 . . . . 4.64 112.008 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -68.52 106.75 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 5.08 110.271 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.511 -0.757 . . . . 4.17 110.451 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.498 ' H1 ' ' HG3' ' B' ' 73' ' ' GLU . 23.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.378 -0.231 . . . . 6.76 110.378 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 61.2 mtt -149.97 -62.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 5.27 109.979 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 p -157.17 165.99 34.45 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.464 -0.789 . . . . 2.42 109.023 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . . . -138.42 67.33 1.41 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.217 0.532 . . . . 1.65 110.377 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.63 151.53 30.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.883 -0.599 . . . . 1.73 109.53 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' B' ' 58' ' ' PHE . 18.9 pttm -53.0 -42.78 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.875 0.307 . . . . 2.61 111.788 -175.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.55 -39.3 83.55 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.693 0.282 . . . . 1.58 111.667 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB1' ' B' ' 24' ' ' ALA . 41.2 mt-10 -70.35 -38.36 74.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 1.54 110.432 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -68.19 -47.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 1.12 110.542 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.75 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.675 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' B' ' 21' ' ' GLU . . . -56.11 -51.18 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 1.08 110.825 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.35 -35.58 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.978 -0.289 . . . . 1.17 111.064 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.08 -54.06 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 1.05 111.056 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.23 -30.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.707 0.289 . . . . 0.23 110.903 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.74 -44.29 93.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.58 110.057 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.628 ' HD1' ' CD2' ' B' ' 29' ' ' TYR . 52.3 t80 -61.04 -49.11 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 2.15 110.853 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.63 ' HD1' ' CD2' ' B' ' 30' ' ' PHE . 21.2 m-85 -57.71 -43.84 85.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 2.14 110.666 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.5 m -66.72 -28.68 68.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.873 -0.603 . . . . 1.79 110.625 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -73.65 -32.93 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.852 0.358 . . . . 1.45 110.486 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.602 HD12 ' CE2' ' B' ' 29' ' ' TYR . 53.1 mt -65.2 -43.54 95.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 1.08 110.385 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.67 -19.69 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.47 110.813 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.69 -45.68 88.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.12 0.486 . . . . 2.22 110.003 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -92.97 -9.26 40.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.45 0.643 . . . . 2.64 110.764 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.33 58.58 3.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.559 -1.201 . . . . 3.07 111.177 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.9 -29.93 18.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.868 -0.79 . . . . 2.11 108.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.2 tt -87.39 155.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.083 -0.962 . . . . 1.11 110.647 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.24 146.62 50.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.848 -0.614 . . . . 2.24 110.174 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.72 -27.63 69.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.407 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.4 -44.13 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.438 . . . . 2.29 110.187 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.447 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -69.82 -33.69 71.08 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.604 -0.726 . . . . 0.42 112.039 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.64 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.423 . . . . 1.15 110.264 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.82 -42.86 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.647 -0.706 . . . . 1.84 111.398 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -29.36 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.87 0.366 . . . . 1.26 110.65 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 72.7 mt -70.2 -27.63 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.501 -0.318 . . . . 1.13 110.623 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.19 -55.08 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.586 -0.279 . . . . 0.53 110.87 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.49 -37.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.946 0.403 . . . . 0.36 110.348 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 1.13 110.908 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.517 ' HE2' ' CB ' ' B' ' 30' ' ' PHE . 12.5 tpp -58.26 -52.46 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 1.17 110.931 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.61 -31.68 71.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.871 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 83.4 m -62.9 -48.13 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.533 -0.303 . . . . 1.54 110.489 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 70.6 mt -59.63 -45.41 94.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.305 0.574 . . . . 1.12 110.094 177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 22.0 m -61.24 -48.55 80.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.439 -0.8 . . . . 1.05 111.274 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -65.46 -40.78 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 2.66 110.847 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.98 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 1.06 111.631 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.457 ' CE2' ' HB2' ' B' ' 19' ' ' LYS . 26.9 m-85 -85.21 -17.56 36.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.089 -0.505 . . . . 2.17 111.441 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 44.24 6.11 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.967 -0.635 . . . . 0.43 113.241 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.638 ' HE2' ' CE1' ' B' ' 60' ' ' PHE . 39.0 p90 -140.6 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.94 0.37 . . . . 2.14 110.274 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -92.39 148.15 22.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.146 -0.479 . . . . 2.33 110.584 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -64.45 -18.23 64.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.689 -0.687 . . . . 4.25 111.431 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.86 -1.95 44.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.062 0.458 . . . . 3.19 110.699 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 -0.33 30.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 1.28 110.989 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.62 -35.62 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.866 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -64.68 -35.86 82.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 2.07 110.837 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.26 -38.02 81.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.018 -0.61 . . . . 0.81 111.936 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.26 -41.24 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.073 0.463 . . . . 1.15 110.296 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.76 -1.49 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 1.23 111.03 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.7 -2.94 46.61 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.934 -0.651 . . . . 1.24 111.715 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -81.14 -45.25 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 3.53 110.374 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.1 m -125.48 -155.01 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.681 -0.69 . . . . 2.17 109.985 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.498 ' HG3' ' H1 ' ' B' ' 14' ' ' MET . 9.2 mm-40 -70.76 -112.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.544 0.211 . . . . 2.64 110.676 177.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 52.04 41.71 29.99 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.234 0.54 . . . . 2.4 110.964 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -139.04 164.3 30.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.617 . . . . 3.27 110.616 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.15 -53.36 4.15 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.267 -0.492 . . . . 2.92 112.093 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -102.07 142.39 33.42 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.851 -0.426 . . . . 3.84 109.851 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -79.21 173.88 12.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.23 -0.655 . . . . 2.43 109.23 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.513 ' O ' HD11 ' B' ' 83' ' ' LEU . 45.3 tp -54.61 -47.92 72.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.724 0.297 . . . . 1.15 110.634 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.06 96.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.385 -0.371 . . . . 1.23 111.638 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -58.86 -42.0 88.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.346 0.594 . . . . 2.3 109.95 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 50.7 mt -63.45 -49.37 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.153 -0.93 . . . . 1.22 111.493 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.513 HD11 ' O ' ' B' ' 79' ' ' LEU . 8.4 mp -63.09 -40.79 98.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.949 -0.569 . . . . 1.14 112.134 -176.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 56.3 t30 -70.67 -44.14 67.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.587 -0.278 . . . . 2.26 111.384 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -72.78 -3.68 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.438 0.533 . . . . 2.01 112.438 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.45 62.06 0.97 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.083 0.771 . . . . 1.7 113.083 -174.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t 58.82 -167.19 0.16 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.504 0.668 . . . . 3.46 112.143 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 88' ' ' ARG . 31.3 mtt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 6.17 109.517 173.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 44.5 t -130.44 90.27 41.7 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 3.58 110.509 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.25 87.86 1.49 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.79 2.326 . . . . 4.64 111.89 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' A' ' 75' ' ' LYS . 42.9 mt-10 -68.62 106.77 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 5.08 110.255 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.519 -0.753 . . . . 4.17 110.413 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.933 0.396 . . . . 6.77 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.4 mtt 63.41 -172.47 0.17 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.928 -0.578 . . . . 5.28 111.518 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m 56.36 78.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.142 -0.935 . . . . 2.41 112.035 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 126.38 29.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.567 -0.531 . . . . 1.65 109.567 173.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -76.29 165.29 25.08 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.107 -0.331 . . . . 1.73 110.107 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -50.72 -54.3 24.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.782 0.325 . . . . 2.61 111.418 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.13 -35.06 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 1.57 111.595 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -76.81 -36.63 56.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.566 . . . . 1.54 110.745 -174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.03 -49.66 78.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 1.12 109.743 174.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.71 76.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.99 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.52 -43.83 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.692 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD12 ' CD2' ' A' ' 74' ' ' PHE . 42.5 mt -70.65 -34.67 72.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.448 -0.342 . . . . 1.17 111.119 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.66 -51.08 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 1.05 110.641 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.8 m -71.61 -29.18 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.24 110.647 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -62.0 -43.61 98.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.307 -0.406 . . . . 1.59 110.483 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 29.4 t80 -58.62 -51.43 69.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 2.15 110.357 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.463 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 23.2 m-85 -61.04 -42.24 98.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 2.13 110.735 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -60.59 -41.85 95.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.79 110.496 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -65.43 -39.58 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 1.45 110.429 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.508 HD12 ' CZ ' ' A' ' 29' ' ' TYR . 61.1 mt -58.4 -50.89 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 1.08 110.951 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.89 -24.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.427 -0.352 . . . . 0.47 111.144 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.55 -44.82 93.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 2.22 111.027 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -100.16 9.78 42.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 2.64 111.146 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.74 61.52 3.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.005 -0.998 . . . . 3.07 110.613 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.83 -9.62 36.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.265 -0.88 . . . . 2.12 109.28 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.489 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 15.4 tt -120.75 160.02 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.846 -1.07 . . . . 1.11 109.849 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -70.77 155.57 40.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 2.23 110.222 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.39 -43.89 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.864 0.32 . . . . 2.19 111.864 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.38 -34.84 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 2.3 110.753 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.18 -36.05 51.78 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.98 -0.629 . . . . 0.42 111.746 178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.59 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.157 0.504 . . . . 1.15 109.98 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.43 -45.59 83.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.345 -0.843 . . . . 1.84 111.107 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.3 -30.41 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 1.26 110.835 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.61 -19.84 62.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.499 -0.318 . . . . 1.13 111.206 175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.84 -49.6 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.452 0.168 . . . . 0.53 110.703 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.5 -31.2 52.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.099 0.476 . . . . 0.36 109.971 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.572 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -66.73 -42.76 85.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.943 -0.571 . . . . 1.13 110.346 174.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.467 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.5 tpp -50.67 -48.67 58.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.718 -0.674 . . . . 1.17 111.479 -176.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.25 -50.03 69.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.632 -0.713 . . . . 1.99 111.654 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' A' ' 50' ' ' ALA . 6.2 p -71.3 -36.29 71.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.985 0.365 . . . . 1.54 111.985 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.55 -51.58 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.4 0.619 . . . . 1.12 109.859 175.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -63.41 -41.38 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.208 -0.905 . . . . 1.05 110.408 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.64 -33.19 73.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.527 . . . . 2.66 111.073 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.95 70.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.06 111.359 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 1.639 ' HD2' ' CD1' ' A' ' 58' ' ' PHE . 44.4 m-85 -77.28 -17.6 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.063 -0.517 . . . . 2.18 111.417 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.26 43.81 4.54 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.762 -0.732 . . . . 0.43 113.21 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.45 173.22 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.759 -0.46 . . . . 2.14 109.759 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.37 153.24 26.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.022 0.439 . . . . 2.33 110.868 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.89 -18.91 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.421 -0.809 . . . . 4.25 111.223 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -83.99 -5.85 59.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 3.2 111.018 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 1.66 23.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.713 0.292 . . . . 1.28 111.177 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 7.7 p -62.16 -40.09 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 0.54 111.25 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -66.53 -37.15 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 2.08 110.698 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.64 94.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.909 -0.663 . . . . 0.82 111.843 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -45.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.657 0.265 . . . . 1.16 110.667 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 93.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 1.23 111.309 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.16 -31.82 80.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 1.25 111.987 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -79.89 -35.42 38.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.783 0.325 . . . . 3.53 110.998 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -73.77 -175.36 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 2.16 111.862 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 22.0 mm-40 -65.51 -44.87 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.059 -0.519 . . . . 2.64 110.627 175.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CD2' HD12 ' A' ' 25' ' ' LEU . 12.8 m-85 -95.97 69.9 2.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 2.4 111.983 -164.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.549 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -96.39 120.88 37.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.952 -0.567 . . . . 3.27 109.687 172.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.69 6.24 60.93 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.941 -0.647 . . . . 2.92 111.63 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -127.33 143.37 51.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.983 -0.377 . . . . 3.84 109.983 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.06 159.22 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.085 -0.709 . . . . 2.43 109.085 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 54.6 tp -54.27 -43.85 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.103 0.478 . . . . 1.15 110.934 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.435 ' HB3' ' CE1' ' A' ' 29' ' ' TYR . . . -65.65 -31.28 72.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 1.23 112.102 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.419 0.628 . . . . 2.3 109.629 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 98.0 mt -59.1 -53.33 49.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.799 -1.091 . . . . 1.23 110.948 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.47 -26.0 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.775 -0.648 . . . . 1.14 111.532 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.49 -34.84 65.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 2.26 110.637 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -85.58 -17.59 35.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 2.01 110.981 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.63 157.54 21.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.544 -0.298 . . . . 1.71 110.675 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.5 t -151.18 141.66 22.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 3.45 110.735 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -142.01 92.82 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.895 -0.593 . . . . 6.16 110.0 178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.2 t -105.9 117.74 56.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.987 -0.552 . . . . 3.58 109.635 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.79 155.54 34.85 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.542 2.161 . . . . 4.64 112.86 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.94 154.61 31.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.724 . . . . 5.08 109.823 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.847 -0.597 . . . . 4.17 111.044 -177.063 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.914 0.388 . . . . 6.76 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 66.6 mtt 63.11 -172.5 0.16 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.938 -0.574 . . . . 5.27 111.55 178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.9 m 56.47 78.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.199 -0.91 . . . . 2.42 112.084 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.26 126.36 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.628 -0.508 . . . . 1.65 109.628 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -76.1 165.12 25.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.077 -0.342 . . . . 1.73 110.077 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.61 -54.49 22.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.932 0.396 . . . . 2.61 111.366 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -58.06 -35.22 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 1.58 111.472 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -76.75 -36.58 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.538 . . . . 1.54 110.706 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 91.3 mt -65.0 -49.71 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 1.12 109.729 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.8 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.508 -0.769 . . . . 1.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.91 84.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.029 -0.532 . . . . 1.08 110.687 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' B' ' 74' ' ' PHE . 42.7 mt -70.58 -34.71 72.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.497 -0.319 . . . . 1.17 111.153 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 69.1 mt -61.67 -51.13 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.019 -0.537 . . . . 1.05 110.653 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.468 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.8 m -71.56 -29.12 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.573 -0.285 . . . . 0.23 110.579 178.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.11 -43.49 98.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.426 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 0.508 ' CZ ' HD12 ' B' ' 33' ' ' ILE . 29.3 t80 -58.7 -51.47 69.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 2.15 110.357 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.471 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 23.1 m-85 -61.03 -42.2 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 2.14 110.825 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.6 t -60.68 -41.89 96.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 1.79 110.339 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -65.35 -39.55 92.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 1.45 110.455 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.508 HD12 ' CZ ' ' B' ' 29' ' ' TYR . 61.3 mt -58.37 -50.84 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 1.08 111.019 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.05 -24.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 0.47 111.221 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.76 -44.87 92.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.22 110.999 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -100.08 9.59 42.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.066 0.46 . . . . 2.64 111.178 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.99 61.19 3.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.018 -0.992 . . . . 3.07 110.687 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.6 -9.69 37.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 2.11 109.208 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.489 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 15.4 tt -120.59 160.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.95 -1.023 . . . . 1.11 109.818 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -70.83 155.6 40.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.18 -0.304 . . . . 2.24 110.18 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.33 -44.08 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.718 0.294 . . . . 2.19 111.79 -174.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.08 -34.94 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 2.29 110.791 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.15 -36.19 51.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.011 -0.614 . . . . 0.42 111.727 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.67 81.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.312 0.577 . . . . 1.15 110.038 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.32 -45.57 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.267 -0.879 . . . . 1.84 110.965 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.45 -30.36 70.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 1.26 110.83 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.61 -20.0 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 1.13 111.168 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -73.77 -49.54 24.94 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.265 -0.174 . . . . 0.53 110.751 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.35 -31.5 53.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.014 0.435 . . . . 0.36 109.967 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.572 ' HA ' ' SG ' ' B' ' 53' ' ' CYS . . . -66.57 -42.73 86.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 1.13 110.316 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.471 ' HE2' ' HB2' ' B' ' 30' ' ' PHE . 15.5 tpp -50.74 -48.62 59.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 1.17 111.493 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.38 -50.0 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 1.99 111.525 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' B' ' 50' ' ' ALA . 6.2 p -71.33 -36.16 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 1.54 111.985 -174.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 86.9 mt -59.75 -51.42 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.3 0.571 . . . . 1.12 109.8 175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.44 -41.33 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.276 -0.874 . . . . 1.05 110.403 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.67 -33.33 73.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 2.66 110.959 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.78 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 1.06 111.382 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 1.656 ' HD2' ' CD1' ' B' ' 58' ' ' PHE . 45.0 m-85 -77.45 -17.4 58.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.988 -0.551 . . . . 2.17 111.387 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 44.1 4.56 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.72 -0.753 . . . . 0.43 113.198 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.61 173.25 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.745 -0.465 . . . . 2.14 109.745 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.39 153.29 26.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.051 0.453 . . . . 2.33 110.782 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.91 -18.93 64.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.304 -0.862 . . . . 4.25 111.133 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.15 -5.64 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.808 0.337 . . . . 3.19 111.019 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.63 1.71 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.317 . . . . 1.28 111.248 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 7.8 p -62.2 -40.11 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.53 111.206 -176.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -66.54 -36.95 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.78 0.324 . . . . 2.07 110.687 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.5 -43.91 93.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.93 -0.653 . . . . 0.81 111.837 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.75 0.31 . . . . 1.15 110.689 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 93.8 mt -63.09 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.23 111.223 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.21 -31.96 80.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.901 -0.666 . . . . 1.24 111.967 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -79.68 -35.46 39.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.742 0.306 . . . . 3.53 111.048 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.74 -175.45 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.027 0.441 . . . . 2.17 111.831 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HD3' ' B' ' 75' ' ' LYS . 21.8 mm-40 -65.39 -44.97 85.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.206 0.527 . . . . 2.64 110.656 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.539 ' CD2' HD12 ' B' ' 25' ' ' LEU . 12.3 m-85 -95.77 69.92 2.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.756 -0.656 . . . . 2.4 111.974 -164.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.554 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -96.58 121.08 38.01 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.964 -0.562 . . . . 3.27 109.744 172.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.37 61.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.947 -0.644 . . . . 2.92 111.595 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.99 143.61 51.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.062 -0.347 . . . . 3.84 110.062 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -97.13 159.19 15.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.138 -0.69 . . . . 2.43 109.138 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 54.9 tp -54.3 -43.82 71.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.135 0.493 . . . . 1.15 110.932 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.423 ' HB3' ' CE1' ' B' ' 29' ' ' TYR . . . -65.48 -31.44 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 1.23 112.126 -176.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -60.36 -39.91 88.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.461 0.648 . . . . 2.3 109.603 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 98.0 mt -59.14 -53.46 47.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.885 -1.052 . . . . 1.22 110.9 176.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.5 -25.84 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 1.14 111.512 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -73.5 -34.91 65.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.411 -0.359 . . . . 2.26 110.7 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.4 t -85.47 -17.72 35.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 2.01 110.918 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.74 157.54 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.678 0.275 . . . . 1.7 110.647 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.6 t -151.13 141.84 22.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.864 0.364 . . . . 3.46 110.647 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -142.2 92.79 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 6.17 110.075 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 54.3 t -105.89 117.81 56.76 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.073 -0.512 . . . . 3.58 109.708 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.84 155.46 34.58 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.605 2.203 . . . . 4.64 112.91 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.91 154.3 32.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.738 -0.664 . . . . 5.08 109.852 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.831 -0.604 . . . . 4.17 111.166 -177.062 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.55 ' HA ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.373 0.13 . . . . 6.77 111.007 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt 67.9 16.71 9.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.151 0.58 . . . . 5.28 111.796 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -143.84 26.5 1.54 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.63 -0.714 . . . . 2.41 110.336 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 48.97 51.41 16.17 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.899 -0.591 . . . . 1.65 109.686 -170.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.8 163.75 27.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.423 -0.808 . . . . 1.73 110.907 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -51.95 -46.41 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.219 0.533 . . . . 2.61 110.608 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -57.55 -41.51 81.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.029 -0.987 . . . . 1.57 111.69 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.55 ' CD ' ' HA ' ' A' ' 14' ' ' MET . 43.1 mt-10 -68.82 -44.02 74.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 1.54 110.504 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.35 -49.56 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.292 -0.867 . . . . 1.12 110.515 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.7 77.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.99 111.087 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.1 86.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.08 110.745 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 97.7 mt -68.1 -34.09 75.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 1.17 110.859 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.63 -52.18 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.159 -0.473 . . . . 1.05 111.079 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.13 -27.13 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.24 110.472 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -62.89 -47.12 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.59 110.366 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -58.68 -51.46 69.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 2.15 110.887 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.632 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 22.0 m-85 -59.88 -41.47 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.264 -0.426 . . . . 2.13 110.876 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -63.32 -35.54 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 1.79 110.902 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.5 m -64.36 -38.15 90.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.745 0.307 . . . . 1.45 110.859 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 29.2 mt -68.09 -43.97 84.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.936 0.398 . . . . 1.08 110.964 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.14 -30.89 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.47 111.392 -176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.32 -37.86 88.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.524 -0.307 . . . . 2.22 111.068 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' SER . 46.7 pttt -90.48 1.78 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 2.64 111.048 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 55.27 48.62 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.415 -0.811 . . . . 3.07 110.787 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -93.09 -28.86 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.451 0.644 . . . . 2.12 109.79 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.4 tt -93.84 151.38 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.252 -0.885 . . . . 1.11 109.796 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 m -64.33 153.02 39.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.467 -0.333 . . . . 2.23 111.249 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.59 -47.27 63.6 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.085 0.402 . . . . 2.19 112.085 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.87 -45.64 86.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.544 -0.298 . . . . 2.3 111.061 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.4 96.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.033 -0.603 . . . . 0.42 112.024 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -47.2 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 1.15 110.692 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.83 -36.42 82.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.865 -0.607 . . . . 1.84 110.668 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.2 t -62.8 -39.66 94.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 1.26 110.08 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.73 -25.97 66.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 1.13 111.309 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -67.34 -52.88 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.781 -0.19 . . . . 0.53 111.245 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.53 -34.82 72.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.36 109.949 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.1 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 1.13 110.478 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.434 ' HE2' ' HB2' ' A' ' 51' ' ' MET . 11.5 ttm -67.76 -36.54 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 1.17 111.436 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.4 -33.82 76.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.521 . . . . 1.99 109.822 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.8 m -72.0 -46.21 58.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.566 -0.743 . . . . 1.54 110.491 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 58' ' ' PHE . 70.3 mt -55.7 -53.63 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.113 0.482 . . . . 1.12 110.507 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.507 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 14.0 p -60.05 -46.67 88.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.646 -0.706 . . . . 1.05 111.553 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.61 -33.28 74.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 2.66 111.065 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -35.26 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 1.06 111.543 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 51.5 m-85 -94.61 -20.86 19.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 2.18 111.041 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 43.94 2.1 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.811 -0.709 . . . . 0.43 113.555 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.507 ' O ' ' HB2' ' A' ' 55' ' ' SER . 50.7 p90 -150.14 179.9 7.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.04 0.42 . . . . 2.14 110.012 175.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.72 169.9 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.32 -0.252 . . . . 2.33 110.32 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -60.79 -45.34 94.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.75 0.278 . . . . 4.25 111.75 -174.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -67.96 -9.54 46.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.747 0.277 . . . . 3.2 111.747 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.57 -14.16 55.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.741 -0.209 . . . . 1.28 111.397 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.55 -35.21 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.843 0.354 . . . . 0.54 110.776 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -62.36 -35.3 78.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 2.08 110.527 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.27 -41.07 27.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.967 -0.635 . . . . 0.82 111.975 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.7 mt -61.14 -45.18 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.336 . . . . 1.16 110.303 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' HA ' ' HG ' ' A' ' 72' ' ' SER . 87.5 mt -72.87 -0.9 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 1.23 111.439 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.03 -25.86 10.09 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.792 -0.718 . . . . 1.25 111.691 175.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.39 -24.52 13.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.047 0.451 . . . . 3.53 111.056 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' HG ' ' HA ' ' A' ' 69' ' ' LEU . 57.3 p -75.18 173.7 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 2.16 111.215 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -90.8 13.09 17.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.877 -0.601 . . . . 2.64 110.782 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.418 ' CG ' HD12 ' A' ' 25' ' ' LEU . 80.6 m-85 -115.78 48.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.389 0.614 . . . . 2.4 109.867 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HB2' ' HD2' ' B' ' 90' ' ' PRO . 29.4 mtpp -77.35 -23.35 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.446 -0.797 . . . . 3.27 110.46 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -114.5 133.15 10.9 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.977 -0.63 . . . . 2.92 111.684 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' GLY . 51.9 mt-30 72.53 134.15 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.602 0.715 . . . . 3.84 111.312 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -84.22 -177.19 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.65 -0.705 . . . . 2.43 109.271 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 38.0 tp -55.25 -54.17 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 1.15 111.289 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.17 -30.82 71.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.327 -0.397 . . . . 1.23 111.402 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -65.27 -43.53 90.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.54 0.686 . . . . 2.3 109.572 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.08 -50.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.848 -1.069 . . . . 1.23 110.798 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 1.14 111.082 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -69.7 -17.94 63.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.269 0.557 . . . . 2.26 110.542 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m -89.36 -8.89 52.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.866 -0.606 . . . . 2.01 110.964 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.95 158.99 27.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 1.71 111.207 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 t -171.5 135.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.672 -0.492 . . . . 3.45 109.672 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -147.5 116.78 6.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 6.16 111.117 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.21 83.33 31.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.07 -0.514 . . . . 3.58 110.637 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' B' ' 75' ' ' LYS . 6.3 Cg_exo -79.54 170.98 16.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.005 2.47 . . . . 4.64 110.953 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 59.46 47.29 11.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.703 0.763 . . . . 5.08 109.445 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.218 -0.901 . . . . 4.17 109.786 -176.586 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' MET . . . . . 0.55 ' HA ' ' CD ' ' B' ' 21' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.341 0.115 . . . . 6.76 111.062 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.2 mtt 68.05 16.53 9.51 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.631 0.582 . . . . 5.27 111.774 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -143.61 26.33 1.59 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.599 -0.728 . . . . 2.42 110.28 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 49.07 51.47 16.15 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.904 -0.589 . . . . 1.65 109.642 -170.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.94 163.59 27.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.337 -0.847 . . . . 1.73 110.973 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -51.81 -46.44 64.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.182 0.515 . . . . 2.61 110.578 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.073 -0.967 . . . . 1.58 111.635 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.55 ' CD ' ' HA ' ' B' ' 14' ' ' MET . 43.2 mt-10 -68.93 -44.12 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.271 0.558 . . . . 1.54 110.449 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 47.4 mt -64.14 -49.67 80.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.303 -0.862 . . . . 1.12 110.551 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.54 77.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.089 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.17 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 1.08 110.703 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.461 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 97.3 mt -68.0 -34.09 75.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 1.17 110.915 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.74 -52.12 61.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 1.05 111.113 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.09 -27.21 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.23 110.424 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.87 -47.17 84.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.841 -0.618 . . . . 1.58 110.333 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -58.61 -51.59 69.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 2.15 110.84 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 1.614 ' HD2' ' CD1' ' B' ' 30' ' ' PHE . 22.0 m-85 -59.75 -41.45 91.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.365 . . . . 2.14 110.868 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -63.53 -35.27 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.396 . . . . 1.79 110.882 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.58 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 50.8 m -64.6 -38.19 90.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.869 0.366 . . . . 1.45 110.823 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.425 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 29.1 mt -67.92 -43.96 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.937 0.399 . . . . 1.08 111.036 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.12 -31.02 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.47 111.395 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.23 -37.84 88.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.776 0.322 . . . . 2.22 111.101 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' B' ' 32' ' ' SER . 46.6 pttt -90.35 1.43 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.417 . . . . 2.64 111.169 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttm 55.58 48.66 18.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.335 -0.848 . . . . 3.07 110.776 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.21 -28.66 16.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.583 0.706 . . . . 2.11 109.81 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.425 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.4 tt -94.14 151.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.22 -0.9 . . . . 1.11 109.797 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -64.38 153.17 39.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.419 -0.355 . . . . 2.24 111.194 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -51.75 -47.24 64.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.151 0.426 . . . . 2.19 112.151 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.05 -45.53 86.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.585 -0.279 . . . . 2.29 110.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.4 96.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.045 -0.598 . . . . 0.42 112.119 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.23 84.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 1.15 110.773 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.91 -36.33 82.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.712 -0.676 . . . . 1.84 110.621 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.3 t -62.81 -39.66 94.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.743 -0.662 . . . . 1.26 110.09 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.7 -26.17 66.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 1.13 111.328 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -67.19 -53.02 34.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.787 -0.188 . . . . 0.53 111.25 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.37 -34.86 72.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.027 0.441 . . . . 0.36 109.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.05 97.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.966 -0.561 . . . . 1.13 110.507 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 11.3 ttm -67.66 -36.72 81.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 1.17 111.451 -175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.32 -33.78 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.368 0.604 . . . . 1.99 109.877 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.7 m -72.04 -46.07 58.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.554 -0.748 . . . . 1.54 110.484 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.456 ' O ' ' HD1' ' B' ' 58' ' ' PHE . 70.1 mt -55.92 -53.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.063 0.459 . . . . 1.12 110.463 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 14.2 p -60.04 -46.6 89.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.659 . . . . 1.05 111.582 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.86 -32.98 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 2.66 111.163 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 1.06 111.453 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 51.5 m-85 -94.82 -20.53 19.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 2.17 111.1 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 44.06 2.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.43 113.618 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.499 ' O ' ' HB2' ' B' ' 55' ' ' SER . 50.9 p90 -150.26 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.938 -0.393 . . . . 2.14 109.938 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.77 169.79 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.397 -0.223 . . . . 2.33 110.397 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -60.89 -45.13 95.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.724 0.268 . . . . 4.25 111.724 -174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.3 -9.36 47.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.163 -0.336 . . . . 3.19 111.76 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.71 -14.11 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.701 -0.227 . . . . 1.28 111.401 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -60.44 -35.35 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.847 0.356 . . . . 0.53 110.89 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.7 m -62.17 -35.27 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 2.07 110.637 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.41 -40.95 26.76 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.992 -0.549 . . . . 0.81 112.028 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 58.3 mt -61.25 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.714 0.292 . . . . 1.15 110.288 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' B' ' 72' ' ' SER . 87.3 mt -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 1.23 111.471 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.18 -25.65 10.14 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.771 -0.728 . . . . 1.24 111.68 175.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -102.46 -24.75 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.988 0.423 . . . . 3.53 110.989 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.421 ' HG ' ' HA ' ' B' ' 69' ' ' LEU . 57.6 p -74.96 173.79 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.022 -0.536 . . . . 2.17 111.239 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -90.91 13.07 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 2.64 110.77 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.423 ' CG ' HD12 ' B' ' 25' ' ' LEU . 80.0 m-85 -115.72 48.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 2.4 109.813 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . 0.447 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . 29.4 mtpp -77.27 -23.45 51.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 3.27 110.422 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' B' ' 77' ' ' GLN . . . -114.48 133.08 10.86 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.013 -0.613 . . . . 2.92 111.724 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 76' ' ' GLY . 51.5 mt-30 72.63 134.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.543 0.687 . . . . 3.84 111.204 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -84.45 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.596 -0.729 . . . . 2.43 109.315 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.461 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 37.9 tp -55.13 -54.23 45.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 1.15 111.379 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.97 71.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.314 -0.403 . . . . 1.23 111.379 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -65.29 -43.68 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.428 0.632 . . . . 2.3 109.5 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.03 -50.24 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.882 -1.054 . . . . 1.22 110.874 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 1.14 111.008 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -69.87 -17.36 63.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.138 0.494 . . . . 2.26 110.521 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.6 m -90.89 -7.09 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.043 -0.526 . . . . 2.01 110.779 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.14 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 1.7 111.136 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.9 t -171.48 135.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.608 -0.516 . . . . 3.46 109.608 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -147.58 116.67 6.87 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.779 0.324 . . . . 6.17 111.125 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.23 83.34 32.12 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.055 -0.521 . . . . 3.58 110.57 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 75' ' ' LYS . 6.3 Cg_exo -79.7 171.31 15.8 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.931 2.421 . . . . 4.64 110.822 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 59.2 47.58 11.5 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.79 0.805 . . . . 5.08 109.427 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.144 -0.934 . . . . 4.17 109.85 -176.662 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.161 -0.311 . . . . 6.77 110.161 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.419 ' SD ' ' HB3' ' A' ' 72' ' ' SER . 84.0 mtp -99.73 153.25 19.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.699 -0.482 . . . . 5.28 109.699 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.575 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 19.0 m -84.95 25.51 0.94 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.169 0.433 . . . . 2.41 112.169 -172.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.33 90.42 0.05 Allowed 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.562 0.539 . . . . 1.65 111.242 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.64 157.7 36.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.24 -0.436 . . . . 1.73 110.125 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.88 -51.39 57.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 2.61 111.244 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.63 -33.77 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 1.57 111.526 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -76.28 -37.55 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.15 -0.477 . . . . 1.54 110.939 -175.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.16 -49.59 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 1.12 109.765 175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.06 72.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.99 110.682 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.55 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 1.08 110.669 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 74' ' ' PHE . 75.5 mt -66.86 -37.37 84.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.307 -0.406 . . . . 1.17 111.038 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.01 -51.02 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.077 -0.51 . . . . 1.05 111.162 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.562 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 28.6 m -68.91 -32.94 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.93 -0.308 . . . . 0.24 110.667 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -66.99 -32.58 73.91 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.073 0.463 . . . . 1.59 110.233 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 1.665 ' HE2' ' CE1' ' A' ' 29' ' ' TYR . 54.3 t80 -68.68 -51.83 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.826 -0.624 . . . . 2.15 110.697 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 18.4 m-85 -61.17 -44.75 96.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 2.13 111.259 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -67.49 -22.24 65.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.404 -0.362 . . . . 1.79 111.121 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -71.84 -41.53 68.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 1.45 110.238 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 16.6 mt -66.45 -39.29 83.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.181 -0.463 . . . . 1.08 110.836 -177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.48 -27.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.47 110.635 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.55 74.11 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.127 0.489 . . . . 2.22 110.119 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.51 ' HZ3' ' HB2' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -81.83 -1.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.841 -0.618 . . . . 2.64 110.855 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' CE ' ' HG2' ' A' ' 41' ' ' GLU . 19.7 tptm 55.93 45.63 23.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.858 -1.064 . . . . 3.07 111.43 175.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.75 -18.01 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.323 0.582 . . . . 2.12 110.235 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 18.6 tt -94.12 150.78 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.823 -0.626 . . . . 1.11 110.149 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -59.01 138.53 57.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 2.23 110.558 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' CE ' ' A' ' 37' ' ' LYS . 39.3 mt-10 -62.32 -29.63 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.267 -0.879 . . . . 2.19 112.326 -170.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.56 -46.96 71.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.037 0.446 . . . . 2.3 109.989 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.47 85.66 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.42 111.898 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.47 89.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.947 0.404 . . . . 1.15 110.45 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.48 -41.21 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.497 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 1.26 110.384 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.75 -27.19 62.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.13 110.98 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -68.19 -50.35 54.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.727 -0.215 . . . . 0.53 110.801 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -35.48 75.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.019 0.438 . . . . 0.36 110.207 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 1.13 110.642 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.562 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.4 tpp -57.39 -48.66 78.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.956 -0.565 . . . . 1.17 110.776 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -43.99 94.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.602 -0.726 . . . . 1.99 110.214 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.49 -46.91 86.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.608 -0.723 . . . . 1.54 111.689 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.37 -51.01 77.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.014 0.435 . . . . 1.12 110.325 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 18.7 m -59.81 -46.45 89.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 1.05 110.726 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 2.66 111.268 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.3 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 1.06 111.754 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -91.4 -12.09 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.841 0.353 . . . . 2.18 111.486 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.56 39.73 9.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 0.43 113.257 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.3 p90 -138.37 164.89 28.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.038 0.419 . . . . 2.14 109.904 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -98.02 143.72 28.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.982 0.42 . . . . 2.33 110.441 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.12 -19.83 55.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.417 -0.811 . . . . 4.25 111.293 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -84.79 -15.53 44.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.354 -0.384 . . . . 3.2 110.685 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 -0.27 53.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 1.28 111.483 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 p -58.47 -38.85 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.834 0.349 . . . . 0.54 111.17 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -63.3 -37.13 86.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 2.08 110.128 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.32 -39.7 70.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.82 112.183 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.56 -48.2 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.069 0.462 . . . . 1.16 110.622 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.25 -36.72 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.826 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.27 -26.27 72.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.78 -0.724 . . . . 1.25 112.061 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -68.99 -57.35 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 3.53 111.148 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' HB3' ' SD ' ' A' ' 15' ' ' MET . 39.3 m -98.64 -115.06 0.15 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.152 -0.476 . . . . 2.16 111.149 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -126.04 -147.73 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.0 -0.371 . . . . 2.64 110.0 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 1.598 ' HD1' ' CD2' ' A' ' 74' ' ' PHE . 70.3 m-85 67.9 32.44 5.18 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.673 0.749 . . . . 2.4 109.78 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -92.46 154.48 18.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.928 -1.033 . . . . 3.27 110.265 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.27 -66.39 2.92 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.132 -0.556 . . . . 2.92 112.445 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -82.31 136.83 34.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.981 -0.377 . . . . 3.84 109.981 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -91.22 -179.72 5.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.569 -0.53 . . . . 2.43 109.569 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.492 ' O ' HD11 ' A' ' 83' ' ' LEU . 40.7 tp -56.09 -53.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.809 0.338 . . . . 1.15 110.83 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.43 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.365 . . . . 1.23 111.478 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.41 -45.57 87.02 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.333 0.587 . . . . 2.3 109.682 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.7 mt -58.44 -50.34 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.23 111.159 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -60.07 -38.61 83.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 1.14 111.089 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.578 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 8.7 t30 -69.52 -37.51 77.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 2.26 110.784 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -69.53 -28.42 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.085 0.469 . . . . 2.01 110.501 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.52 22.92 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.238 -0.437 . . . . 1.71 111.068 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.2 t -55.49 142.87 31.31 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.78 -0.646 . . . . 3.45 111.134 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -126.33 146.39 50.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.976 -0.556 . . . . 6.16 110.464 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p -85.37 118.2 70.28 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.936 -0.394 . . . . 3.58 109.936 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.71 97.92 0.23 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.799 2.332 . . . . 4.64 112.219 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.36 88.73 7.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.042 -0.526 . . . . 5.08 109.973 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.494 -0.765 . . . . 4.17 110.487 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.784 0.326 . . . . 6.76 110.174 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.409 ' SD ' ' HB3' ' B' ' 72' ' ' SER . 83.5 mtp -99.83 153.0 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.741 -0.466 . . . . 5.27 109.741 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.578 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 17.7 m -84.68 25.47 0.91 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.213 -0.449 . . . . 2.42 112.142 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.24 90.45 0.05 Allowed 'General case' 0 C--O 1.232 0.184 0 O-C-N 123.634 0.584 . . . . 1.65 111.287 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.71 157.63 36.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.157 -0.474 . . . . 1.73 110.226 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.73 -51.51 55.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.408 . . . . 2.61 111.19 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.63 -33.72 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.644 -0.707 . . . . 1.58 111.512 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -76.31 -37.44 57.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.134 -0.485 . . . . 1.54 110.945 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 76.4 mt -66.2 -49.54 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.101 -0.5 . . . . 1.12 109.859 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.07 72.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.719 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.43 75.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 1.08 110.643 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.94 -37.37 84.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.374 -0.375 . . . . 1.17 110.979 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.03 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 1.05 111.173 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.558 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 28.6 m -68.99 -32.8 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.86 -0.336 . . . . 0.23 110.763 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -67.05 -32.46 73.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 1.58 110.37 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' TYR . . . . . 1.666 ' HE2' ' CE1' ' B' ' 29' ' ' TYR . 54.0 t80 -68.77 -51.83 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 2.15 110.693 177.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.468 ' HB2' ' HE2' ' B' ' 51' ' ' MET . 18.3 m-85 -61.16 -44.76 96.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 2.14 111.235 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -67.61 -22.14 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 1.79 111.121 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -71.98 -41.56 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 1.45 110.085 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.415 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 16.6 mt -66.43 -39.33 83.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.157 -0.474 . . . . 1.08 110.822 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.45 -27.08 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.47 110.63 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.81 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.133 0.492 . . . . 2.22 110.021 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.501 ' HZ3' ' HB2' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -81.66 -1.81 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 2.64 110.945 179.006 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.419 ' CE ' ' HG2' ' B' ' 41' ' ' GLU . 19.8 tptm 55.96 45.29 24.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.78 -1.1 . . . . 3.07 111.47 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.29 -18.39 18.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.189 0.519 . . . . 2.11 110.246 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.415 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 18.6 tt -93.71 150.75 3.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.855 -0.612 . . . . 1.11 110.152 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -58.91 138.54 57.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 2.24 110.607 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' CE ' ' B' ' 37' ' ' LYS . 40.0 mt-10 -62.7 -29.4 70.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.215 -0.902 . . . . 2.19 112.284 -169.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 -47.02 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.022 0.439 . . . . 2.29 110.077 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.6 86.2 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.604 -0.726 . . . . 0.42 111.884 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 1.15 110.364 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.64 -41.04 93.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.529 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -62.21 -34.54 76.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 1.26 110.449 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.74 -27.31 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 1.13 110.97 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.25 -50.06 56.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.625 -0.261 . . . . 0.53 110.94 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.69 -35.62 75.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.36 110.101 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -34.45 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 1.13 110.622 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' MET . . . . . 0.558 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -57.42 -48.59 78.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.995 -0.548 . . . . 1.17 110.818 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.84 -44.07 94.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.588 -0.733 . . . . 1.99 110.21 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.56 -46.93 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.532 -0.758 . . . . 1.54 111.706 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.41 -50.93 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.032 0.444 . . . . 1.12 110.262 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.7 m -59.87 -46.46 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.575 -0.739 . . . . 1.05 110.72 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.38 -42.41 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 2.66 111.271 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.19 90.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 1.06 111.776 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -91.5 -12.34 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.913 0.387 . . . . 2.17 111.46 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.59 9.5 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.43 113.279 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 1.623 ' HE2' ' CE1' ' B' ' 60' ' ' PHE . 39.5 p90 -138.18 165.1 27.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.911 -0.403 . . . . 2.14 109.911 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -98.18 143.68 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.038 0.447 . . . . 2.33 110.428 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -60.09 -19.8 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.389 -0.823 . . . . 4.25 111.323 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -84.81 -15.48 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 3.19 110.797 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.36 -0.33 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 1.28 111.533 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 p -58.39 -38.9 72.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.53 111.136 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -63.52 -36.76 84.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 2.07 110.187 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.53 -39.64 68.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.032 -0.604 . . . . 0.81 112.169 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.53 -48.22 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.971 0.415 . . . . 1.15 110.686 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -36.75 82.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.617 . . . . 1.23 110.859 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.16 -26.42 72.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 1.24 112.222 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.89 -57.43 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.829 0.347 . . . . 3.53 111.096 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.409 ' HB3' ' SD ' ' B' ' 15' ' ' MET . 39.8 m -98.6 -115.18 0.15 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 2.17 111.126 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.403 ' HB2' ' H ' ' B' ' 74' ' ' PHE . 9.6 pt-20 -126.02 -147.66 0.37 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.023 -0.362 . . . . 2.64 110.023 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 1.618 ' HE1' ' CE2' ' B' ' 74' ' ' PHE . 70.2 m-85 68.05 32.25 5.09 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.604 0.716 . . . . 2.4 109.676 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -92.36 154.38 18.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.978 -1.01 . . . . 3.27 110.396 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.39 -66.13 2.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.215 -0.516 . . . . 2.92 112.507 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -82.61 136.58 34.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.971 -0.381 . . . . 3.84 109.971 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -90.98 -179.41 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.574 -0.528 . . . . 2.43 109.574 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.493 ' O ' HD11 ' B' ' 83' ' ' LEU . 40.7 tp -56.35 -53.28 59.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 1.15 110.862 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.4 72.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.42 -0.354 . . . . 1.23 111.484 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.24 -45.69 87.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.445 0.641 . . . . 2.3 109.668 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 45.8 mt -58.47 -50.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.796 -1.093 . . . . 1.22 111.124 177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . 0.493 HD11 ' O ' ' B' ' 79' ' ' LEU . 10.7 mp -60.13 -38.48 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.015 -0.538 . . . . 1.14 111.068 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ASN . . . . . 0.575 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 8.8 t30 -69.64 -37.58 76.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.272 -0.422 . . . . 2.26 110.839 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.7 t -69.47 -28.33 65.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 2.01 110.515 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.78 23.26 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 1.7 110.983 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.8 t -55.7 142.75 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 3.46 111.107 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -126.16 146.49 49.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.175 -0.466 . . . . 6.17 110.531 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p -85.52 118.33 70.46 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.319 -0.4 . . . . 3.58 109.972 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.75 97.76 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.83 2.354 . . . . 4.64 112.211 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.39 88.83 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 5.08 110.064 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.534 -0.746 . . . . 4.17 110.774 -179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.056 0.455 . . . . 1.09 111.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' ILE . 15.3 t -74.34 166.31 23.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 1.32 109.46 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -55.11 -53.73 52.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 2.1 111.049 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.44 -36.03 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.458 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.11 -41.07 82.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 1.54 110.603 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.7 mt -66.88 -52.07 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.796 -0.638 . . . . 0.44 110.195 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.81 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 0.2 110.742 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 65' ' ' VAL . . . -55.43 -54.19 46.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.31 111.068 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 74' ' ' PHE . 89.4 mt -63.84 -37.15 86.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.478 -0.328 . . . . 0.46 110.98 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 72.5 mt -63.3 -52.38 59.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.27 111.006 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.9 -30.08 42.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.974 -0.29 . . . . 0.24 110.938 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.54 -43.36 90.19 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 1.59 109.895 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CE2' HD11 ' A' ' 33' ' ' ILE . 43.4 t80 -61.85 -46.24 90.32 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.117 -0.492 . . . . 1.25 110.552 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.36 -38.3 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 1.22 110.376 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.5 m -63.68 -39.87 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 1.15 110.554 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 m -64.54 -37.42 87.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.99 111.054 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 29' ' ' TYR . 63.9 mt -60.68 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.242 -0.436 . . . . 0.43 111.113 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.9 -23.31 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.47 110.799 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.58 -46.51 88.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.374 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 32' ' ' SER . 20.8 ptmt -90.09 10.64 23.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 2.08 110.832 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? 39.91 51.21 2.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.459 1.104 . . . . 2.6 112.304 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -90.21 -29.35 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.387 0.613 . . . . 2.12 109.812 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.495 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.3 tt -85.89 160.9 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.093 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 t -76.64 158.77 30.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.248 -0.278 . . . . 1.82 110.248 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.63 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.721 0.296 . . . . 2.19 111.22 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 2.3 110.839 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.38 84.01 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.39 112.748 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.25 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.38 110.572 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -65.76 -38.15 88.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 1.84 110.683 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.7 m -58.35 -43.51 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.98 110.352 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.63 -27.8 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.41 111.315 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.56 -57.12 6.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.757 -0.201 . . . . 0.48 110.778 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.48 -34.81 71.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.36 110.488 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.615 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.5 -39.81 92.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.346 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttm -67.49 -38.11 83.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.65 110.862 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -59.92 -40.53 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.254 0.55 . . . . 1.99 109.741 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.27 -0.877 . . . . 1.05 111.055 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 50' ' ' ALA . 75.6 mt -58.22 -47.22 87.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.499 . . . . 0.34 109.859 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 20.0 m -62.32 -43.15 99.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.481 -0.781 . . . . 0.8 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.71 -39.16 90.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 2.66 111.014 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.14 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.42 111.825 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.05 -13.53 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.032 0.382 . . . . 1.24 112.032 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.79 52.31 5.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.992 -0.623 . . . . 0.43 112.89 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.7 p90 -150.38 166.7 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.585 -0.524 . . . . 1.22 109.585 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -100.2 157.62 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.54 -0.3 . . . . 2.33 110.341 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 65' ' ' VAL . 72.7 ttt180 -57.84 -57.11 14.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.266 -0.174 . . . . 3.67 111.366 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.72 -15.65 42.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.888 0.375 . . . . 3.2 111.403 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.79 -18.08 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.631 -0.259 . . . . 0.67 111.122 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -58.86 -33.79 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.86 0.362 . . . . 0.54 110.568 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -64.85 -29.99 70.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.232 0.539 . . . . 1.63 110.723 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.2 -42.86 7.31 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.76 111.79 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.77 -47.58 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.71 110.715 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.1 mt -77.32 3.7 12.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.14 110.988 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.97 -29.66 7.53 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.881 -0.888 . . . . 1.25 110.881 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -85.35 -43.6 13.54 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.923 0.392 . . . . 3.16 110.26 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -79.43 150.59 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 2.02 109.665 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -95.46 51.85 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.912 0.863 . . . . 2.64 112.006 -175.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 25' ' ' LEU . 73.5 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 114.753 -1.112 . . . . 1.7 108.284 167.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m80 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 108.442 -0.947 . . . . 1.96 108.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 83' ' ' LEU . 56.5 tp -55.78 -49.42 73.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.759 0.314 . . . . 0.6 111.14 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.54 72.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.964 0.357 . . . . 0.63 111.964 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 2.3 109.911 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.85 -43.5 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.159 -0.928 . . . . 0.61 110.718 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.3 mp -68.28 -30.82 69.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.768 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -63.78 -34.93 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 1.83 111.015 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -7.57 55.73 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.968 0.359 . . . . 1.5 111.968 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.72 0.295 . . . . 1.71 110.554 178.004 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.126 0.489 . . . . 1.09 111.36 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.415 ' O ' HG13 ' B' ' 22' ' ' ILE . 16.2 t -74.35 166.16 23.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 1.33 109.48 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -54.94 -53.81 50.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 2.1 111.053 -173.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.42 -35.98 77.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.447 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.11 -41.15 82.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.0 0.429 . . . . 1.54 110.596 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 26' ' ' ILE . 71.1 mt -66.88 -51.95 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.635 . . . . 0.44 110.252 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.83 67.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.724 -0.671 . . . . 0.2 110.705 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' B' ' 65' ' ' VAL . . . -55.33 -54.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 0.31 111.076 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 74' ' ' PHE . 89.4 mt -63.83 -37.23 86.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.486 -0.324 . . . . 0.46 111.081 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.4 mt -63.18 -52.39 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 0.27 111.007 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.96 -29.99 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 121.01 -0.276 . . . . 0.23 110.945 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.54 -43.64 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.705 -0.48 . . . . 1.58 109.705 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' B' ' 33' ' ' ILE . 43.3 t80 -61.69 -46.3 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 1.25 110.534 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.24 -38.47 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.8 0.334 . . . . 1.22 110.357 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.2 m -63.43 -40.24 96.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 1.15 110.414 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 24.7 m -64.37 -37.41 87.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.538 -0.301 . . . . 0.99 110.981 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' B' ' 29' ' ' TYR . 63.9 mt -60.75 -48.82 87.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.3 -0.409 . . . . 0.44 111.102 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.71 -23.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.47 110.854 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.4 -46.46 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.474 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 32' ' ' SER . 20.7 ptmt -90.0 10.56 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 2.08 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 39.98 51.23 2.54 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.678 -1.146 . . . . 2.6 112.297 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -90.29 -29.15 18.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.381 0.61 . . . . 2.11 109.806 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.488 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.3 tt -86.23 160.95 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.156 -0.929 . . . . 0.52 110.095 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.9 t -76.65 158.73 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.105 -0.331 . . . . 1.82 110.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.71 -44.97 70.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.688 0.28 . . . . 2.19 111.128 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.67 -52.23 64.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 2.29 110.8 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.4 84.06 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.39 112.681 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.11 97.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.766 0.317 . . . . 0.38 110.618 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -65.88 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 1.84 110.627 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 11.9 m -58.5 -43.47 89.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.98 110.243 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.7 -27.77 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.41 111.372 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.44 -57.29 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.646 -0.252 . . . . 0.48 110.74 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.46 -34.78 71.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.89 0.376 . . . . 0.36 110.51 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.625 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.56 -39.71 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.37 110.244 176.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.1 ttm -67.63 -38.2 83.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.65 110.776 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.03 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 1.99 109.755 174.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.9 m -69.95 -42.76 72.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.266 -0.879 . . . . 1.05 111.071 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.625 HG13 ' O ' ' B' ' 50' ' ' ALA . 76.0 mt -58.2 -47.23 87.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.243 0.544 . . . . 0.33 109.933 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -62.31 -43.03 99.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.811 . . . . 0.8 110.989 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.9 -39.08 90.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 2.66 110.934 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.32 -51.17 55.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.41 111.814 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -84.08 -13.56 52.73 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 1.24 112.022 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 52.09 5.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.912 -0.661 . . . . 0.42 112.891 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.7 p90 -150.29 166.6 29.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.691 -0.485 . . . . 1.23 109.691 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -100.18 157.81 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.244 -0.28 . . . . 2.33 110.244 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.726 ' O ' HG12 ' B' ' 65' ' ' VAL . 72.6 ttt180 -57.87 -57.18 13.89 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 121.327 -0.149 . . . . 3.67 111.351 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.63 -15.49 40.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.929 0.395 . . . . 3.19 111.503 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.0 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.575 -0.284 . . . . 0.66 111.157 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.726 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -58.87 -33.99 51.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 0.53 110.58 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -64.59 -30.32 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.006 -0.543 . . . . 1.63 110.695 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.0 -42.74 7.46 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.115 -0.564 . . . . 0.74 111.846 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.81 -47.39 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.7 110.633 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -77.24 3.37 13.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 1.13 110.958 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -29.66 7.56 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.803 -0.919 . . . . 1.24 110.803 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -85.32 -43.65 13.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 3.15 110.282 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -79.52 150.66 31.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.93 -0.577 . . . . 2.02 109.608 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -95.63 51.95 1.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.886 0.85 . . . . 2.64 111.972 -175.149 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 25' ' ' LEU . 73.3 m-85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 114.678 -1.146 . . . . 1.7 108.266 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.423 -0.954 . . . . 1.95 108.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 83' ' ' LEU . 56.6 tp -55.75 -49.48 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.6 111.084 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.934 0.346 . . . . 0.63 111.934 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.41 -35.77 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.361 0.601 . . . . 2.3 109.869 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.59 -43.56 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.274 -0.876 . . . . 0.61 110.616 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.4 mp -68.27 -30.88 70.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.83 110.759 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.68 -34.96 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 1.83 110.99 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 p -77.96 -4.86 49.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.912 0.338 . . . . 1.5 111.912 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 1.7 110.37 177.398 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.064 0.459 . . . . 1.09 111.802 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 22' ' ' ILE . 34.2 p -80.21 173.77 12.27 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.735 -0.666 . . . . 1.32 110.488 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.05 -48.64 70.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.396 -0.366 . . . . 2.1 111.629 -175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.39 -34.63 76.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.582 -0.281 . . . . 1.57 111.333 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 51.5 mt-10 -67.51 -44.27 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 1.54 110.768 -178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 mt -65.06 -50.26 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 0.44 110.497 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.76 73.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.2 110.867 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.6 89.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.31 111.174 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.96 -33.46 61.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.46 110.852 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 22' ' ' ILE . 76.9 mt -63.86 -50.91 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.27 110.997 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 33.0 m -67.46 -30.18 48.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.844 0.354 . . . . 0.24 110.359 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.33 -42.44 96.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 1.59 109.554 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.1 t80 -62.65 -51.85 65.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.006 -0.543 . . . . 1.25 110.877 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.87 -41.66 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.59 -0.277 . . . . 1.22 111.652 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 p -67.94 -31.85 71.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 1.15 110.694 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -66.37 -41.4 89.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.99 110.025 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.8 mt -56.68 -50.89 72.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.95 -0.568 . . . . 0.43 111.058 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.5 m -73.11 -27.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.469 -0.332 . . . . 0.47 111.277 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.83 -44.39 93.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.136 0.494 . . . . 2.22 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -94.83 4.75 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 2.08 110.881 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt 52.87 55.93 8.3 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 114.991 -1.004 . . . . 2.6 110.886 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -88.66 -8.65 54.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.254 1.025 . . . . 2.12 108.363 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.1 tt -122.99 153.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.739 -1.119 . . . . 0.51 110.555 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 m -67.82 141.98 56.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 1.82 109.881 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.46 -25.04 59.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.398 -0.819 . . . . 2.19 112.429 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.77 -38.61 73.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.006 0.431 . . . . 2.3 110.199 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.97 -27.74 57.82 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.444 -0.662 . . . . 0.39 111.444 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.44 98.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.981 0.419 . . . . 0.38 110.438 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.99 -40.37 93.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.525 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.499 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.86 -23.98 62.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.504 -0.316 . . . . 0.41 111.09 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.18 -52.72 31.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.597 0.237 . . . . 0.48 110.733 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.32 -36.03 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.964 0.411 . . . . 0.36 110.242 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.98 -35.17 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.37 110.637 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 21.6 tpp -54.42 -50.0 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.65 111.037 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.953 -0.567 . . . . 1.99 110.462 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.4 m -63.47 -45.93 88.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.179 -0.464 . . . . 1.05 111.05 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.4 mt -60.72 -50.12 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.164 0.507 . . . . 0.34 110.06 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 20.3 m -60.74 -48.14 83.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.489 -0.778 . . . . 0.8 110.933 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.39 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 2.66 111.143 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.9 -34.35 75.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.659 . . . . 0.42 111.715 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 65.9 m-85 -100.79 -2.24 32.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.812 0.339 . . . . 1.24 111.616 -177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.71 41.76 8.71 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.837 -0.696 . . . . 0.43 113.454 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 55' ' ' SER . 45.1 p90 -145.34 161.52 39.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.901 0.35 . . . . 1.22 110.108 174.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -101.2 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.019 -0.363 . . . . 2.33 110.019 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.666 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.4 mtt180 -53.11 -47.27 68.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.649 0.261 . . . . 3.67 111.572 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.07 -13.41 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.729 0.27 . . . . 3.2 111.729 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.61 -17.41 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.708 -0.224 . . . . 0.67 111.581 -176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 62' ' ' ARG . 12.7 p -62.71 -29.41 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.042 0.448 . . . . 0.54 110.297 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 m -62.15 -39.29 92.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.799 -0.637 . . . . 1.63 110.288 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.91 -39.86 53.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.85 -0.69 . . . . 0.76 111.91 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -59.19 -53.85 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.237 -0.282 . . . . 0.71 110.237 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.8 -3.11 17.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 1.14 111.443 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.57 -34.01 29.56 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.687 -0.768 . . . . 1.25 111.229 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.32 -39.42 10.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 3.16 110.219 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' A' ' 21' ' ' GLU . 31.0 m -61.3 141.89 57.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 2.02 110.022 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 0.55 52.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.071 -0.513 . . . . 2.64 111.36 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 1.7 110.211 178.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 108.975 -0.75 . . . . 1.96 108.975 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 58.8 tp -52.61 -49.81 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.55 0.574 . . . . 0.6 112.55 -171.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' B' ' 22' ' ' ILE . . . -69.69 -27.24 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.122 0.415 . . . . 0.63 112.122 -174.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.13 -36.37 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.236 -0.653 . . . . 2.3 109.236 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 77.1 mt -61.11 -49.58 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.61 110.203 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.9 mp -64.72 -32.33 73.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.83 110.821 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.26 -21.64 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 1.83 110.601 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 m -82.05 -10.41 59.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 1.5 110.745 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 1.71 110.388 178.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.144 0.497 . . . . 1.09 111.725 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.421 ' O ' HG13 ' B' ' 22' ' ' ILE . 32.4 p -80.33 173.97 12.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.567 -0.742 . . . . 1.33 110.414 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.31 -48.66 71.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.347 -0.388 . . . . 2.1 111.494 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -34.5 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.627 -0.261 . . . . 1.58 111.399 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' B' ' 72' ' ' SER . 51.5 mt-10 -67.56 -44.11 79.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.968 0.413 . . . . 1.54 110.874 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.462 ' O ' HG13 ' B' ' 26' ' ' ILE . 61.0 mt -65.17 -50.38 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.44 110.437 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.2 110.897 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.66 90.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 0.31 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -33.59 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.38 -0.373 . . . . 0.46 110.918 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.79 -50.88 75.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.27 111.026 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 33.0 m -67.47 -30.3 48.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.23 110.281 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.22 -42.36 96.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 1.58 109.664 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.507 ' O ' HG13 ' B' ' 33' ' ' ILE . 37.2 t80 -62.68 -51.84 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 1.25 110.914 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.458 -0.337 . . . . 1.22 111.648 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.3 p -67.81 -31.98 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 1.15 110.733 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.5 t -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 0.99 109.984 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 61.9 mt -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.97 -0.559 . . . . 0.44 111.08 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.21 -27.36 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.32 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.02 -44.14 93.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 2.22 110.82 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -94.82 4.45 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.158 0.504 . . . . 2.08 110.927 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 53.02 55.89 8.3 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.96 -1.018 . . . . 2.6 110.868 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.56 -8.6 54.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.257 1.027 . . . . 2.11 108.338 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.1 tt -122.94 153.15 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.711 -1.131 . . . . 0.52 110.528 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 42.8 m -67.59 142.0 56.61 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.139 -0.482 . . . . 1.82 109.88 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.73 -24.94 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.364 -0.835 . . . . 2.19 112.518 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.82 -38.9 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 2.29 110.034 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.61 -27.62 58.78 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.47 -0.652 . . . . 0.39 111.47 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.4 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.38 110.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.02 -40.51 93.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.577 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -61.7 -38.52 88.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 0.98 110.472 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.93 -23.84 62.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.41 111.245 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.06 -53.01 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.673 0.273 . . . . 0.48 110.67 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.36 110.226 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.518 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.06 -35.02 79.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.37 110.649 177.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.427 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 21.9 tpp -54.55 -50.17 68.56 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -67.75 -36.24 80.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.589 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.1 m -63.64 -45.89 88.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 1.05 111.072 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 50' ' ' ALA . 64.8 mt -60.76 -50.18 81.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.33 110.034 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 20.4 m -60.65 -48.08 83.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.378 -0.828 . . . . 0.8 110.907 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.5 -37.48 81.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 2.66 111.119 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.9 -34.4 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.71 -0.677 . . . . 0.41 111.769 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 66.2 m-85 -100.62 -2.29 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 1.24 111.56 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.73 42.14 8.47 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.475 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 45.1 p90 -145.76 161.6 39.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.923 0.362 . . . . 1.23 110.076 174.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.25 169.16 9.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.048 -0.353 . . . . 2.33 110.048 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.658 ' O ' HG12 ' B' ' 65' ' ' VAL . 88.3 mtt180 -53.21 -47.05 69.24 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.681 0.277 . . . . 3.67 111.577 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.26 -13.31 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.756 0.312 . . . . 3.19 111.721 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.78 -17.29 51.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.607 -0.27 . . . . 0.66 111.628 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 62' ' ' ARG . 12.7 p -62.77 -29.38 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.002 0.43 . . . . 0.53 110.319 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.6 m -62.29 -39.01 91.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.869 -0.605 . . . . 1.63 110.375 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.1 -39.9 52.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.936 -0.65 . . . . 0.74 111.744 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.29 -53.61 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.28 -0.267 . . . . 0.7 110.28 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.85 -3.24 18.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 1.13 111.526 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.32 -34.26 29.71 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.16 -0.776 . . . . 1.24 111.16 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.06 -39.51 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.221 -0.289 . . . . 3.15 110.221 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' B' ' 21' ' ' GLU . 31.0 m -61.35 142.12 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.466 . . . . 2.02 110.036 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.81 0.65 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 2.64 111.28 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.519 0.676 . . . . 1.7 110.242 178.738 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.922 -0.77 . . . . 1.95 108.922 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 58.9 tp -52.64 -49.85 64.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.495 0.554 . . . . 0.6 112.495 -171.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -27.34 65.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.07 0.396 . . . . 0.63 112.07 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.436 0.636 . . . . 2.3 109.306 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 77.0 mt -61.04 -49.67 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 0.61 110.23 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.9 mp -64.64 -32.39 74.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.83 110.877 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.14 -21.68 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 1.83 110.62 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.9 m -82.29 -10.04 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.851 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.39 178.768 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 N-CA-C 109.311 -0.626 . . . . 1.09 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -72.54 157.43 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.59 -0.732 . . . . 1.32 110.365 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.2 -48.77 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 2.1 111.568 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.04 -38.13 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 1.57 111.457 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.37 -39.16 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.249 0.547 . . . . 1.54 110.376 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.5 mt -65.22 -51.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.481 -0.781 . . . . 0.44 110.389 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -33.74 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.2 111.113 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.14 86.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 0.31 111.114 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HB3' HD13 ' A' ' 79' ' ' LEU . 36.6 mt -73.5 -34.46 65.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.668 0.271 . . . . 0.46 111.128 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -61.56 -50.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.655 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.28 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.24 110.41 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.3 -49.52 77.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.039 -0.528 . . . . 1.59 110.649 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.7 t80 -62.37 -46.59 87.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 1.25 110.888 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.81 -42.75 99.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.618 0.247 . . . . 1.22 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -64.47 -34.47 78.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.064 0.459 . . . . 1.15 109.958 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -65.48 -40.15 92.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.758 -0.655 . . . . 0.99 110.691 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 29' ' ' TYR . 53.1 mt -59.35 -49.17 84.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.862 0.363 . . . . 0.43 110.86 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.93 -26.49 19.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.47 110.9 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.31 -46.84 78.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 2.22 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 14.5 ptmm? -87.97 5.56 40.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.217 0.532 . . . . 2.08 110.811 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.17 52.95 10.79 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.938 -1.028 . . . . 2.6 110.804 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 42.5 tt0 -98.57 -13.44 20.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 2.12 110.349 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.2 tt -112.52 151.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.51 110.608 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 m -68.79 153.57 43.55 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.009 -0.542 . . . . 1.82 110.485 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.98 -50.5 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.232 0.456 . . . . 2.19 112.232 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.18 -36.73 78.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.378 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -35.97 72.23 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.815 -0.707 . . . . 0.39 111.783 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.75 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.38 110.734 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -64.11 -31.85 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.617 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -67.15 -40.62 86.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.63 . . . . 0.98 109.841 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.33 -30.19 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.41 111.045 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.18 -58.66 7.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.48 110.995 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.31 -37.34 77.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.04 0.447 . . . . 0.36 110.436 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -65.15 -36.99 85.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.37 111.249 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 54' ' ' ILE . 27.8 ttm -71.33 -38.42 71.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.352 -0.385 . . . . 0.65 111.902 -173.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.45 -29.1 68.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.393 -0.523 . . . . 1.99 109.62 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.7 -41.28 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.595 . . . . 1.05 110.296 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.9 mt -57.62 -49.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.37 0.605 . . . . 0.34 109.491 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.9 m -59.17 -45.14 91.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 0.8 110.713 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.4 -40.87 98.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.205 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.59 74.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.42 112.129 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -103.3 -8.18 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 1.24 111.684 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.97 38.38 19.52 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.037 -0.601 . . . . 0.43 113.462 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 10.8 p90 -136.82 177.11 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.808 -0.441 . . . . 1.22 109.808 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.53 154.46 33.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.836 0.35 . . . . 2.33 110.293 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -61.2 -17.82 55.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.847 -0.615 . . . . 3.67 112.123 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.15 -4.15 58.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.751 0.31 . . . . 3.2 110.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.91 0.27 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.323 . . . . 0.67 111.501 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.42 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.54 111.534 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -66.5 -36.13 81.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 1.63 110.836 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.4 -37.6 92.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.972 -0.633 . . . . 0.76 112.034 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.42 -48.51 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 0.71 110.596 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.66 -37.96 89.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 1.14 111.231 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.22 74.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.924 -0.655 . . . . 1.25 112.849 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.95 -33.39 19.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 3.16 110.836 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 p -82.61 175.35 10.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 2.02 111.127 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -84.95 26.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.117 0.484 . . . . 2.64 110.377 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.459 0.647 . . . . 1.7 109.58 179.464 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.158 -1.053 . . . . 1.96 108.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 25' ' ' LEU . 63.7 tp -43.43 -50.47 6.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.033 0.753 . . . . 0.6 113.033 -172.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.61 71.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.36 0.504 . . . . 0.63 112.36 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.77 -40.96 98.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.37 0.605 . . . . 2.3 109.523 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.6 mt -62.85 -41.57 93.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.798 -1.092 . . . . 0.61 110.844 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.801 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -68.96 -29.77 68.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.517 -0.31 . . . . 1.83 110.83 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -76.69 -7.87 56.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.853 0.316 . . . . 1.5 111.853 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.687 0.279 . . . . 1.71 110.303 176.516 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.334 -0.617 . . . . 1.09 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -72.5 157.29 37.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.548 -0.751 . . . . 1.33 110.519 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.07 -48.92 64.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.26 0.35 . . . . 2.1 111.556 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.99 -38.04 78.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 1.58 111.539 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.36 -39.2 81.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.267 0.556 . . . . 1.54 110.381 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.418 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.2 mt -65.32 -50.96 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.426 -0.806 . . . . 0.44 110.325 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.94 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.683 -0.689 . . . . 0.2 111.046 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.41 85.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.31 111.155 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' B' ' 79' ' ' LEU . 37.3 mt -73.1 -34.57 66.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.46 111.268 178.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -61.44 -50.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 0.27 110.611 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.29 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.23 110.389 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.32 -49.54 77.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.039 -0.528 . . . . 1.58 110.57 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.642 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.5 t80 -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 1.25 110.839 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.75 -42.72 99.34 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.152 -0.219 . . . . 1.22 110.916 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -64.51 -34.59 78.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.233 0.539 . . . . 1.15 109.938 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.6 t -65.29 -40.2 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.721 -0.672 . . . . 0.99 110.72 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.642 HG13 ' O ' ' B' ' 29' ' ' TYR . 53.0 mt -59.3 -49.13 84.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.863 0.363 . . . . 0.44 110.899 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.92 -26.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.249 -0.432 . . . . 0.47 110.924 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.15 -47.06 78.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 2.22 110.434 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' B' ' 38' ' ' GLU . 14.5 ptmm? -87.81 5.64 39.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.154 0.502 . . . . 2.08 110.833 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.13 53.02 10.74 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.954 -1.021 . . . . 2.6 110.814 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' B' ' 36' ' ' LYS . 42.7 tt0 -98.69 -13.47 20.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.665 . . . . 2.11 110.388 -175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -112.47 151.83 14.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.722 -0.672 . . . . 0.52 110.497 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -68.87 153.52 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.001 -0.545 . . . . 1.82 110.517 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -49.98 -50.58 46.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.182 0.438 . . . . 2.19 112.182 -173.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.1 -36.55 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 2.29 111.41 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.3 -36.12 70.16 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.761 -0.733 . . . . 0.39 111.768 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.55 79.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.38 110.704 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -64.37 -31.67 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.679 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -67.3 -40.62 86.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.64 . . . . 0.98 109.777 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.3 -30.12 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.03 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -60.25 -58.5 8.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.432 -0.349 . . . . 0.48 110.982 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.56 -37.29 77.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 121.006 0.432 . . . . 0.36 110.417 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.635 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.0 -37.01 86.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.988 -0.551 . . . . 0.37 111.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' B' ' 54' ' ' ILE . 27.8 ttm -71.4 -38.32 71.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.65 111.941 -173.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -67.23 -29.4 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.0 m -69.65 -41.37 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.05 110.194 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.635 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.5 mt -57.55 -49.07 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.479 0.656 . . . . 0.33 109.524 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 16.7 m -59.2 -45.15 91.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.064 -0.971 . . . . 0.8 110.663 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.32 -40.96 98.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 2.66 111.173 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.62 74.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 0.41 112.072 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.34 -8.17 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.766 0.317 . . . . 1.24 111.693 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 38.15 19.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.029 -0.605 . . . . 0.42 113.475 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 10.8 p90 -136.59 177.03 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.79 -0.448 . . . . 1.23 109.79 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.59 154.41 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.469 -0.332 . . . . 2.33 110.244 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -61.77 -16.93 53.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.895 -0.593 . . . . 3.67 112.103 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.68 -4.04 58.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.846 0.355 . . . . 3.19 110.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.97 0.46 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.66 111.427 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.47 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.53 111.477 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -66.48 -36.15 82.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.63 110.834 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.79 93.13 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.909 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.5 mt -71.23 -48.46 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.783 0.325 . . . . 0.7 110.572 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.69 -37.85 88.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.13 111.149 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.6 -29.52 75.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.96 -0.638 . . . . 1.24 112.755 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.56 -33.55 20.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.0 0.428 . . . . 3.15 110.898 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -82.63 175.05 10.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.079 -0.51 . . . . 2.02 111.183 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.7 26.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 2.64 110.372 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.344 0.592 . . . . 1.7 109.573 179.469 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.183 -1.043 . . . . 1.95 108.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' B' ' 25' ' ' LEU . 63.7 tp -43.6 -50.36 7.36 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.038 0.755 . . . . 0.6 113.038 -172.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.66 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.331 0.493 . . . . 0.63 112.331 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.67 -41.15 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.423 0.63 . . . . 2.3 109.53 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.72 -41.37 92.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.794 -1.094 . . . . 0.61 111.022 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.53 -31.58 67.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.795 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -68.84 -29.74 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.565 -0.289 . . . . 1.83 110.699 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -77.69 -5.8 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.755 0.28 . . . . 1.5 111.755 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 110.108 -0.33 . . . . 1.7 110.108 176.259 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.114 0.483 . . . . 1.09 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -80.16 163.24 24.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.007 -0.542 . . . . 1.32 109.851 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' B' ' 38' ' ' GLU . 64.8 mttp -52.64 -54.8 28.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.237 0.336 . . . . 2.1 111.805 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.94 -34.78 76.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 1.57 111.691 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.7 -43.43 76.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 1.54 110.47 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.3 mt -67.18 -46.77 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.409 -0.814 . . . . 0.44 110.441 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 0.2 110.827 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.23 85.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.31 110.928 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' ' 74' ' ' PHE . 97.9 mt -74.22 -35.9 63.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.713 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 22' ' ' ILE . 74.7 mt -63.87 -48.68 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.822 -0.627 . . . . 0.27 110.924 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.3 -32.73 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 121.014 -0.275 . . . . 0.24 110.639 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -62.08 -43.12 99.52 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.945 0.402 . . . . 1.59 110.098 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.6 t80 -58.55 -53.75 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.816 -0.629 . . . . 1.25 110.874 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.7 m-85 -61.24 -42.74 99.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.373 -0.376 . . . . 1.22 110.741 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -60.84 -39.71 90.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.1 -0.5 . . . . 1.15 110.469 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 10.2 t -73.85 -21.76 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.62 -0.264 . . . . 0.99 110.938 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 29' ' ' TYR . 60.4 mt -67.97 -52.56 37.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.926 0.394 . . . . 0.43 110.043 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.2 m -72.14 -25.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.47 110.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.63 -50.91 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 2.22 111.066 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.3 pttm -104.76 25.64 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 2.08 111.457 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.87 62.01 1.34 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.822 -1.081 . . . . 2.6 112.804 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' B' ' 19' ' ' LYS . 22.1 mm-40 -97.28 -2.78 41.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.603 -0.726 . . . . 2.12 110.05 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.408 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.3 tt -131.84 155.08 41.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.313 -0.858 . . . . 0.51 109.539 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -81.23 169.06 17.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.679 0.276 . . . . 1.82 110.89 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.5 mp0 -51.39 -57.29 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.516 0.726 . . . . 2.19 112.17 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.72 -35.02 78.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 2.3 111.251 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.5 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -64.68 -41.18 97.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.727 -0.749 . . . . 0.39 111.663 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.55 75.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.077 0.465 . . . . 0.38 110.324 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.25 -46.01 83.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.422 -0.808 . . . . 1.84 111.35 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 p -70.54 -35.29 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.928 -0.309 . . . . 0.98 110.538 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 71.9 mt -64.39 -25.54 68.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.645 0.259 . . . . 0.41 110.81 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 -50.91 60.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.604 -0.271 . . . . 0.48 111.172 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.02 -34.12 68.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.012 0.434 . . . . 0.36 110.106 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.5 -28.6 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.37 110.541 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 14.4 tpp -66.02 -48.42 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.19 0.519 . . . . 0.65 110.402 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.59 -35.35 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.595 -0.729 . . . . 1.99 109.805 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.04 -60.93 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.646 -0.706 . . . . 1.05 111.251 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 50' ' ' ALA . 62.2 mt -54.71 -44.96 72.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.976 0.417 . . . . 0.34 110.753 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -60.98 -53.32 58.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.8 110.926 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.26 -45.24 81.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 2.66 111.575 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.42 111.736 -176.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -84.1 -20.35 32.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.792 0.33 . . . . 1.24 111.37 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 37.55 6.32 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.851 -0.69 . . . . 0.43 113.219 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.21 158.56 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.865 -0.42 . . . . 1.22 109.865 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -91.29 142.96 27.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.05 0.452 . . . . 2.33 110.392 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -63.83 -20.3 65.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.606 -0.725 . . . . 3.67 110.876 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.41 -2.62 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 3.2 110.923 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.24 2.85 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.591 -0.277 . . . . 0.67 111.559 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.5 -39.07 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.309 -0.405 . . . . 0.54 111.783 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 t -66.51 -33.14 75.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.403 . . . . 1.63 110.432 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.92 -46.38 82.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.921 -0.657 . . . . 0.76 111.733 176.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.07 -47.32 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.71 110.429 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -67.34 -21.13 65.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.14 111.586 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.19 -29.29 28.4 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.885 -0.674 . . . . 1.25 112.097 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 97.5 mttt -76.74 -47.22 22.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 3.16 110.289 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -75.74 154.0 36.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.982 -0.554 . . . . 2.02 110.619 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -76.03 20.34 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.553 -0.294 . . . . 2.64 111.791 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CG ' HD11 ' A' ' 25' ' ' LEU . 60.6 m-85 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.861 -0.422 . . . . 1.7 109.861 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.1 m80 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.898 0.38 . . . . 1.96 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 83' ' ' LEU . 51.9 tp -54.17 -35.93 62.84 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.36 -0.836 . . . . 0.6 111.245 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.64 78.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.63 111.287 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.02 -41.93 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.211 -0.663 . . . . 2.3 109.211 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.19 -45.75 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.863 -1.062 . . . . 0.61 111.219 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.0 mp -68.31 -30.11 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.83 111.399 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -71.48 -22.14 61.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 1.83 110.041 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.5 t -82.96 -10.93 58.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 1.5 110.566 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.41 0.624 . . . . 1.71 110.327 179.257 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.261 0.553 . . . . 1.09 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -80.21 163.05 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.877 -0.601 . . . . 1.33 109.9 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 38' ' ' GLU . 64.7 mttp -52.53 -54.73 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.179 0.299 . . . . 2.1 111.783 -175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.358 . . . . 1.58 111.738 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.9 -43.34 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.201 0.524 . . . . 1.54 110.458 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.2 mt -67.0 -46.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.463 -0.79 . . . . 0.44 110.425 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -35.74 72.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.764 -0.653 . . . . 0.2 110.912 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.24 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.31 110.889 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.406 HD11 ' CG ' ' B' ' 74' ' ' PHE . 97.7 mt -74.28 -35.79 63.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.892 0.377 . . . . 0.46 110.666 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.8 mt -64.08 -48.48 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.27 110.878 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.33 -32.81 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 0.23 110.624 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.04 -43.08 99.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.009 0.433 . . . . 1.58 110.085 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.1 t80 -58.72 -53.71 55.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.75 -0.659 . . . . 1.25 110.766 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.496 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 22.6 m-85 -61.23 -42.65 98.98 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.436 -0.347 . . . . 1.22 110.802 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -60.89 -39.72 90.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 1.15 110.47 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 10.7 t -73.81 -21.86 60.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.646 -0.252 . . . . 0.99 110.879 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 29' ' ' TYR . 60.6 mt -67.94 -52.43 39.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.44 110.012 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.09 -25.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.47 110.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.59 -50.86 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.268 -0.878 . . . . 2.22 111.104 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 32' ' ' SER . 18.4 pttm -104.8 25.62 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.221 -0.445 . . . . 2.08 111.486 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.92 62.1 1.33 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.763 -1.108 . . . . 2.6 112.653 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.506 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 21.7 mm-40 -97.28 -2.95 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 2.11 110.067 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.56 155.11 41.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.314 -0.857 . . . . 0.52 109.49 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -81.19 169.06 17.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.661 0.267 . . . . 1.82 111.03 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' B' ' 41' ' ' GLU . 1.6 mp0 -51.45 -57.11 9.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 2.19 112.179 -173.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.75 -35.05 78.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.793 0.33 . . . . 2.29 111.193 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -64.77 -41.0 97.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.39 111.664 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -38.52 75.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.085 0.469 . . . . 0.38 110.365 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.19 -46.17 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.407 -0.815 . . . . 1.84 111.32 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 31.5 p -70.43 -35.27 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.862 -0.335 . . . . 0.98 110.539 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 70.7 mt -64.43 -25.53 68.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.57 0.224 . . . . 0.41 110.779 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.86 -51.08 59.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.48 111.098 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.98 -34.07 68.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.661 -0.416 . . . . 0.36 110.169 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.523 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.45 -28.56 67.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.37 110.678 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.496 ' HE1' ' HB2' ' B' ' 30' ' ' PHE . 14.6 tpp -66.14 -48.33 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.65 110.384 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.61 -35.32 80.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 1.99 109.734 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 50' ' ' ALA . 1.6 t -58.09 -60.84 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.704 -0.68 . . . . 1.05 111.239 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 50' ' ' ALA . 62.3 mt -54.83 -45.01 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-O 120.978 0.418 . . . . 0.33 110.715 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.96 -53.16 60.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.903 -0.59 . . . . 0.8 111.053 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.34 -45.24 80.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 2.66 111.588 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -63.23 -40.17 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.41 111.644 -175.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -83.73 -20.37 33.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.416 -0.356 . . . . 1.24 111.497 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.92 37.47 6.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.728 -0.748 . . . . 0.42 113.224 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -136.13 158.74 43.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.893 -0.41 . . . . 1.23 109.893 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -91.41 142.82 27.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.044 0.45 . . . . 2.33 110.39 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.78 -20.2 65.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 3.67 110.864 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.27 -3.21 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 3.19 110.856 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.75 2.84 22.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.525 -0.307 . . . . 0.66 111.491 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.55 -38.96 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.53 111.816 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.3 t -66.64 -32.91 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 1.63 110.518 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' B' ' 71' ' ' LYS . . . -65.98 -46.42 81.43 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.969 -0.634 . . . . 0.74 111.816 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.94 -47.41 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.115 0.484 . . . . 0.7 110.365 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.41 -20.95 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.546 -0.752 . . . . 1.13 111.611 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.43 -29.22 27.93 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 1.24 112.08 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 67' ' ' GLY . 97.6 mttt -76.69 -47.35 22.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.912 0.386 . . . . 3.15 110.202 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -75.62 153.96 36.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.984 -0.553 . . . . 2.02 110.648 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -76.07 20.39 0.2 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.746 0.308 . . . . 2.64 111.782 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.406 ' CG ' HD11 ' B' ' 25' ' ' LEU . 60.6 m-85 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 109.841 -0.429 . . . . 1.7 109.841 175.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 m80 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.892 0.377 . . . . 1.95 110.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 83' ' ' LEU . 51.9 tp -54.1 -36.08 62.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.419 -0.81 . . . . 0.6 111.171 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -35.36 77.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 0.63 111.415 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.14 -42.17 80.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.192 -0.67 . . . . 2.3 109.192 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.11 -45.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.787 -1.097 . . . . 0.61 111.191 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.0 mp -68.2 -30.06 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.83 111.418 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.69 -21.9 61.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.318 0.58 . . . . 1.83 110.002 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 34.9 t -83.25 -10.7 58.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.629 -0.714 . . . . 1.5 110.445 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.424 0.631 . . . . 1.7 110.291 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.974 0.416 . . . . 1.09 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -73.48 159.49 33.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 1.32 110.181 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -54.05 -51.58 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 2.1 111.257 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.62 -38.54 81.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.768 -0.651 . . . . 1.57 111.461 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.61 -46.99 83.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.138 0.494 . . . . 1.54 110.493 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.5 mt -65.76 -49.74 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.61 -0.723 . . . . 0.44 110.964 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.21 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 0.2 110.984 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.55 97.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.31 110.922 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 74' ' ' PHE . 87.5 mt -70.11 -35.65 74.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.454 . . . . 0.46 110.698 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 22' ' ' ILE . 83.8 mt -63.65 -50.93 75.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.27 111.029 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.19 -30.76 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.24 110.546 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.0 -42.91 99.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.138 -0.483 . . . . 1.59 110.495 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.0 t80 -62.71 -51.67 66.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 1.25 110.789 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.82 -44.1 97.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.369 . . . . 1.22 111.467 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 51.6 p -65.78 -26.24 67.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.61 0.243 . . . . 1.15 110.844 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -74.3 -31.47 62.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.99 110.798 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.5 mt -68.9 -45.28 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.43 110.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.11 -16.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.839 -0.618 . . . . 0.47 111.219 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.8 tp10 -67.03 -49.74 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 2.22 110.29 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.35 4.84 51.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 2.08 111.238 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 58.1 61.94 2.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.848 -1.069 . . . . 2.6 111.326 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.37 -5.36 20.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 2.12 111.268 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -107.7 162.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.95 -0.568 . . . . 0.51 110.162 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -67.47 158.67 31.29 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.051 0.219 . . . . 1.82 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.94 -52.27 65.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.757 0.313 . . . . 2.19 111.771 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.58 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.048 0.452 . . . . 2.3 110.566 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -41.05 90.44 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 0.39 111.911 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.42 97.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.439 . . . . 0.38 110.635 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.02 -40.58 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.687 -0.688 . . . . 1.84 110.719 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -64.52 -32.85 74.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.043 -0.526 . . . . 0.98 110.817 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -71.64 -23.8 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.41 110.929 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.88 -51.74 30.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.555 -0.293 . . . . 0.48 110.514 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.31 -36.47 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.36 110.406 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.54 -33.11 74.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.37 110.632 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.9 tpp -57.67 -47.37 82.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.662 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.29 -42.86 99.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.869 -0.605 . . . . 1.99 110.429 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.64 -48.94 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 1.05 111.795 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 50' ' ' ALA . 45.7 mt -62.47 -50.03 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.34 110.743 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 25.9 p -63.73 -46.1 86.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.082 -0.508 . . . . 0.8 111.108 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.03 -32.48 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 2.66 110.915 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.87 -38.51 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.38 -0.373 . . . . 0.42 111.583 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 52.2 m-85 -95.06 -14.28 24.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 1.24 111.628 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.86 43.66 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.79 -0.719 . . . . 0.43 113.231 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 55' ' ' SER . 44.1 p90 -148.45 169.73 19.58 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.558 -0.534 . . . . 1.22 109.558 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -114.2 163.79 14.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.395 -0.224 . . . . 2.33 110.395 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.4 ttt180 -56.77 -43.81 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.453 0.168 . . . . 3.67 111.4 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.64 -9.6 20.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.064 0.394 . . . . 3.2 112.064 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -6.21 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.651 -0.249 . . . . 0.67 111.402 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 62' ' ' ARG . 10.8 p -63.84 -36.98 78.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.596 0.236 . . . . 0.54 111.071 -176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 p -61.9 -42.58 99.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.874 0.368 . . . . 1.63 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -64.26 -48.04 78.69 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.985 -0.626 . . . . 0.76 112.002 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.05 -47.38 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.71 110.638 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.88 -34.15 77.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 1.14 111.678 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.58 -29.57 72.89 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 1.25 112.333 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 34.9 mmtp -84.47 -37.53 21.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 3.16 110.759 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.2 p -61.98 155.45 23.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.02 112.079 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.1 17.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 2.64 110.416 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CG ' HD11 ' A' ' 25' ' ' LEU . 78.7 m-85 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 1.7 110.072 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.519 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 38.3 m80 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 109.66 -0.496 . . . . 1.96 109.66 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 83' ' ' LEU . 43.6 tp -53.17 -32.31 47.19 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.259 -0.882 . . . . 0.6 111.46 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.86 69.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.63 111.342 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 4.5 m-20 -62.75 -37.71 87.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.263 0.554 . . . . 2.3 109.93 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.56 -52.73 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.362 -0.835 . . . . 0.61 110.773 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.4 mp -62.54 -36.08 81.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.83 111.308 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.67 -38.06 80.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.312 0.577 . . . . 1.83 109.963 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -78.75 -20.41 50.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.618 . . . . 1.5 111.174 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' B' ' 86' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.949 0.404 . . . . 1.71 111.404 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.936 0.398 . . . . 1.09 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -73.63 159.4 33.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.142 -0.481 . . . . 1.33 110.196 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -53.94 -51.58 63.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 2.1 111.218 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.64 -38.59 81.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.58 111.516 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.74 -46.87 83.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.048 0.452 . . . . 1.54 110.466 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' B' ' 26' ' ' ILE . 70.5 mt -65.82 -49.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.44 110.934 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.14 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.2 110.916 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.49 97.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.665 -0.698 . . . . 0.31 110.906 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' B' ' 74' ' ' PHE . 87.5 mt -70.18 -35.54 74.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.007 0.432 . . . . 0.46 110.773 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 22' ' ' ILE . 83.6 mt -63.7 -50.99 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 0.27 111.02 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.02 -30.99 50.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.23 110.554 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.96 -42.8 99.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.111 -0.495 . . . . 1.58 110.474 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.566 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.0 t80 -62.86 -51.7 65.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.225 -0.443 . . . . 1.25 110.703 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.67 -44.19 96.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.468 -0.333 . . . . 1.22 111.54 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 47.8 p -65.79 -26.1 67.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.77 0.319 . . . . 1.15 110.896 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -74.47 -31.49 62.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.795 0.331 . . . . 0.99 110.861 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.3 mt -68.83 -45.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.095 0.474 . . . . 0.44 110.373 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.05 -16.13 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.47 111.239 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 31' ' ' SER . 9.6 tp10 -66.98 -49.69 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 2.22 110.266 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.51 5.24 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.271 0.558 . . . . 2.08 111.275 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 57.83 62.15 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 114.832 -1.076 . . . . 2.6 111.288 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.53 -5.48 20.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 2.11 111.312 -176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.1 tt -107.32 162.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.901 -0.59 . . . . 0.52 110.131 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 14.3 m -67.45 158.44 31.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.722 -0.217 . . . . 1.82 110.938 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.91 -52.3 65.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 2.19 111.758 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.54 -32.81 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 2.29 110.55 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -67.74 -40.94 89.83 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.796 -0.716 . . . . 0.39 111.877 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.015 0.436 . . . . 0.38 110.59 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.85 -40.79 96.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 1.84 110.826 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -64.64 -32.43 74.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.929 -0.578 . . . . 0.98 110.915 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.86 -23.68 61.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.295 . . . . 0.41 110.954 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.84 -51.87 29.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.54 -0.3 . . . . 0.48 110.538 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.24 -36.48 77.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.36 110.403 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.57 -33.21 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.445 -0.343 . . . . 0.37 110.634 177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 17.2 tpp -57.71 -47.35 82.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.65 110.618 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.1 -43.06 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.99 110.405 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.52 -48.98 77.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 1.05 111.85 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 50' ' ' ALA . 46.3 mt -62.56 -50.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.33 110.636 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 25.3 p -63.68 -46.08 87.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.149 -0.478 . . . . 0.8 111.137 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.98 -32.61 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 2.66 111.017 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.422 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.75 -38.56 89.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.41 111.601 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 52.7 m-85 -95.08 -14.16 24.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.469 -0.332 . . . . 1.24 111.601 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 43.19 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.65 -0.786 . . . . 0.42 113.377 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' B' ' 55' ' ' SER . 44.0 p90 -147.97 169.7 19.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.609 -0.515 . . . . 1.23 109.609 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.11 163.83 14.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.426 -0.212 . . . . 2.33 110.426 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.552 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.3 ttt180 -56.82 -44.01 81.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.47 0.176 . . . . 3.67 111.366 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.4 -9.78 20.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.986 0.365 . . . . 3.19 111.986 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.7 -6.25 40.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.736 -0.211 . . . . 0.66 111.444 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.0 p -63.89 -37.1 78.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.684 0.278 . . . . 0.53 110.989 -176.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.0 p -61.77 -42.4 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 1.63 110.922 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' B' ' 71' ' ' LYS . . . -64.44 -47.94 79.0 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.94 -0.647 . . . . 0.74 111.94 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.28 -47.25 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.7 110.607 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.99 -34.0 77.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 1.13 111.707 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.44 -29.9 73.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 1.24 112.191 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' B' ' 67' ' ' GLY . 35.0 mmtp -84.48 -37.29 21.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.384 . . . . 3.15 110.696 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.4 ' C ' ' H ' ' B' ' 74' ' ' PHE . 97.3 p -62.24 155.21 25.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.662 -0.699 . . . . 2.02 112.153 -175.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.94 17.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.524 -0.762 . . . . 2.64 110.378 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.505 ' CG ' HD11 ' B' ' 25' ' ' LEU . 78.6 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.194 -0.457 . . . . 1.7 110.17 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' HIS . . . . . 0.506 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 38.3 m80 . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.681 -0.488 . . . . 1.95 109.681 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HD13 ' B' ' 83' ' ' LEU . 43.8 tp -53.22 -32.23 47.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.256 -0.884 . . . . 0.6 111.418 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.73 69.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.297 -0.41 . . . . 0.63 111.305 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ASP . . . . . 0.506 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 4.5 m-20 -62.71 -37.7 87.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.246 0.546 . . . . 2.3 110.014 177.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.62 -52.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.26 -0.882 . . . . 0.61 110.752 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.499 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.4 mp -62.45 -36.15 81.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.83 111.196 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.63 -38.08 80.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.271 0.557 . . . . 1.83 109.954 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -19.83 50.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.925 -0.58 . . . . 1.5 111.238 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 1.7 111.387 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.037 0.446 . . . . 1.09 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -74.13 150.75 40.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.32 110.08 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.79 -46.65 74.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.831 0.678 . . . . 2.1 112.831 -170.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.16 -31.41 72.24 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.014 -0.274 . . . . 1.57 111.137 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.04 -42.36 80.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 1.54 109.495 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' ILE . 94.0 mt -64.07 -46.53 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.932 -1.031 . . . . 0.44 110.582 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.94 -38.03 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.896 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.32 92.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.31 110.942 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 74' ' ' PHE . 48.8 mt -69.0 -37.09 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.502 -0.317 . . . . 0.46 110.889 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.9 mt -65.01 -52.4 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.27 110.961 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.706 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.0 m -65.65 -32.19 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.842 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.04 -40.33 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 1.59 110.222 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.8 t80 -63.53 -45.15 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.25 110.384 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 15.3 m-30 -59.27 -40.8 87.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 1.22 110.327 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 m -68.03 -28.39 67.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.627 . . . . 1.15 110.584 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 -32.95 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.99 110.269 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 29' ' ' TYR . 64.9 mt -64.44 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.43 110.571 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -81.6 -20.67 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.47 110.57 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.52 -51.05 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 2.22 109.737 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -16.7 60.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.41 0.624 . . . . 2.08 110.07 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 56.49 52.48 9.83 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 114.277 -1.328 . . . . 2.6 111.261 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.07 -13.25 27.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.76 0.79 . . . . 2.12 109.038 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.04 149.51 6.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.907 -1.042 . . . . 0.51 109.982 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -83.49 169.15 15.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.48 -0.327 . . . . 1.82 110.43 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 1.8 mp0 -50.99 -52.27 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.305 0.642 . . . . 2.19 112.639 -172.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.0 -45.34 90.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.816 0.341 . . . . 2.3 111.018 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.67 99.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.848 -0.692 . . . . 0.39 111.955 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.86 87.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.815 0.34 . . . . 0.38 110.626 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -36.71 84.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.159 -0.473 . . . . 1.84 110.696 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 m -62.21 -37.29 84.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.98 110.308 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.54 -27.84 62.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.41 110.652 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.62 -48.93 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.481 -0.327 . . . . 0.48 110.942 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.08 -38.4 81.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.695 -0.402 . . . . 0.36 110.083 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.0 -32.21 73.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.37 110.55 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.706 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.7 tpp -57.54 -49.28 76.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.65 110.666 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.73 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 1.99 110.466 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -60.69 -49.73 76.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.444 -0.798 . . . . 1.05 111.09 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.3 mt -61.07 -46.67 96.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.369 . . . . 0.34 110.475 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.51 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 41.7 m -57.2 -52.77 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.8 111.332 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.34 -28.63 63.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.735 0.303 . . . . 2.66 111.194 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.48 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.42 111.229 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.51 -21.5 32.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.036 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.31 42.15 4.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.947 -0.644 . . . . 0.43 113.175 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 24.2 p90 -137.59 155.12 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.104 -0.332 . . . . 1.22 110.104 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.72 145.54 26.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 2.33 110.34 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 65' ' ' VAL . 14.4 ttm180 -65.34 -21.72 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 3.67 110.923 -175.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 0.72 55.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.875 0.369 . . . . 3.2 111.03 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.37 0.27 24.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.67 111.443 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 62' ' ' ARG . 2.9 p -60.37 -42.48 91.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.648 -0.251 . . . . 0.54 111.294 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -65.45 -29.74 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.049 0.452 . . . . 1.63 110.048 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.44 39.13 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.759 -0.655 . . . . 0.76 112.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.13 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.411 . . . . 0.71 110.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.2 -3.14 28.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.193 0.521 . . . . 1.14 111.208 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.4 24.89 5.51 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.413 -1.075 . . . . 1.25 110.413 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.12 -64.52 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.217 -0.491 . . . . 3.16 110.425 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.1 m -87.24 -73.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.36 . . . . 2.02 110.708 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -160.72 -151.76 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.53 -0.545 . . . . 2.64 109.53 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.435 ' CG ' HD11 ' A' ' 25' ' ' LEU . 49.1 m-85 . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 108.366 -0.975 . . . . 1.7 108.366 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 108.768 -0.827 . . . . 1.96 108.768 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 83' ' ' LEU . 29.1 tp -55.84 -47.04 77.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.6 110.813 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.34 88.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.63 111.65 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.11 -44.22 91.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 2.3 109.605 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.56 -52.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.61 111.264 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.8 mp -65.74 -29.36 69.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.83 111.577 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.33 -22.36 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.958 0.409 . . . . 1.83 110.186 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -82.98 -26.82 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 1.5 110.096 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 1.71 109.855 177.12 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.073 0.463 . . . . 1.09 110.753 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 150.72 39.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.98 -0.554 . . . . 1.33 110.271 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.72 -46.67 74.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.761 0.652 . . . . 2.1 112.761 -169.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.07 -31.63 72.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.636 0.255 . . . . 1.58 111.152 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.02 -42.33 80.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.49 0.662 . . . . 1.54 109.443 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.461 ' O ' HG13 ' B' ' 26' ' ' ILE . 93.8 mt -64.2 -46.48 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.951 -1.022 . . . . 0.44 110.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.11 69.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.2 110.929 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.45 92.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.31 111.027 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' B' ' 74' ' ' PHE . 49.0 mt -68.94 -37.08 78.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.948 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 22' ' ' ILE . 80.7 mt -64.97 -52.32 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.27 111.009 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.696 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.0 m -65.75 -32.17 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.454 -0.339 . . . . 0.23 110.732 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.97 -40.48 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 1.58 110.282 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.519 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.7 t80 -63.43 -45.13 92.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 1.25 110.408 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 15.3 m-30 -59.37 -40.65 87.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 1.22 110.318 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 47.0 m -67.99 -28.63 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.879 -0.6 . . . . 1.15 110.542 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.37 -33.02 66.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.42 -0.355 . . . . 0.99 110.271 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.1 mt -64.44 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.44 110.526 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.44 -20.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.496 -0.32 . . . . 0.47 110.539 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -67.73 -50.76 55.7 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.734 -0.469 . . . . 2.22 109.734 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -16.36 59.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.442 0.639 . . . . 2.08 110.044 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 56.26 52.57 10.0 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.195 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.08 -13.33 26.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.768 0.794 . . . . 2.11 109.088 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.0 tt -100.96 149.42 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.52 110.04 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -83.44 168.94 16.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.588 -0.278 . . . . 1.82 110.52 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 41' ' ' GLU . 1.8 mp0 -50.79 -52.05 44.71 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.767 0.654 . . . . 2.19 112.767 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.16 -45.41 91.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.769 0.319 . . . . 2.29 111.019 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.62 99.33 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.835 -0.698 . . . . 0.39 111.978 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.62 88.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.32 . . . . 0.38 110.645 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.113 0.482 . . . . 1.84 110.56 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -62.19 -37.14 84.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.791 -0.64 . . . . 0.98 110.365 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -72.54 -27.81 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.616 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.55 -49.2 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.459 -0.337 . . . . 0.48 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.86 -38.28 81.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.966 0.412 . . . . 0.36 110.164 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.521 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.18 -32.14 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.37 110.55 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.696 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.7 tpp -57.57 -49.34 76.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.888 -0.597 . . . . 0.65 110.704 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -64.82 -40.33 95.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 1.99 110.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.6 m -60.58 -49.82 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.541 -0.754 . . . . 1.05 111.125 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.1 mt -61.15 -46.7 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.33 110.439 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 40.4 m -57.1 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.8 111.265 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.28 -28.57 63.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.628 -0.26 . . . . 2.66 111.15 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.44 73.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.41 111.253 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.25 -21.67 33.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 1.24 111.073 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.4 42.01 4.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.852 -0.69 . . . . 0.42 113.113 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 24.5 p90 -137.57 155.2 49.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.943 0.372 . . . . 1.23 110.059 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.83 145.4 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.184 -0.462 . . . . 2.33 110.359 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.449 ' O ' HG12 ' B' ' 65' ' ' VAL . 14.3 ttm180 -65.05 -21.47 66.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.511 -0.768 . . . . 3.67 111.114 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 0.68 55.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.929 0.395 . . . . 3.19 110.918 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.25 0.13 24.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.66 111.358 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.449 HG12 ' O ' ' B' ' 62' ' ' ARG . 2.9 p -60.23 -42.38 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.686 -0.234 . . . . 0.53 111.262 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -65.8 -29.22 69.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.179 0.514 . . . . 1.63 110.079 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.56 37.17 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.877 -0.601 . . . . 0.74 112.04 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.2 -41.54 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.392 . . . . 0.7 110.92 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.33 -2.92 27.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.171 0.51 . . . . 1.13 111.274 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.44 24.84 5.51 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.341 -1.104 . . . . 1.24 110.341 173.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -108.91 -64.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.225 -0.487 . . . . 3.15 110.546 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.7 m -87.16 -73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.917 0.389 . . . . 2.02 110.551 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -160.5 -151.68 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.987 -0.551 . . . . 2.64 109.618 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.437 ' CG ' HD11 ' B' ' 25' ' ' LEU . 49.2 m-85 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 108.421 -0.955 . . . . 1.7 108.421 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.754 -0.832 . . . . 1.95 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 83' ' ' LEU . 29.1 tp -55.96 -47.16 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.4 . . . . 0.6 110.702 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.43 89.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.208 -0.451 . . . . 0.63 111.669 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.05 -44.14 91.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.37 0.605 . . . . 2.3 109.652 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.65 -52.95 54.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.962 -1.017 . . . . 0.61 111.234 177.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.8 mp -65.57 -29.41 70.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.042 -0.526 . . . . 0.83 111.597 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.37 -22.21 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.09 0.471 . . . . 1.83 110.24 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -26.88 30.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 1.5 110.05 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 1.7 109.853 177.118 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.605 -0.517 . . . . 1.09 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -72.09 159.11 34.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.802 -0.636 . . . . 1.32 109.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 36.3 mtmm -50.52 -49.35 55.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.581 0.229 . . . . 2.1 111.539 -176.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.05 -33.64 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 1.57 111.466 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 72' ' ' SER . 51.1 mt-10 -68.71 -41.09 79.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.22 0.533 . . . . 1.54 110.212 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.6 mt -68.55 -47.17 78.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.544 -0.753 . . . . 0.44 110.538 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.76 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.2 110.839 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.83 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.31 110.587 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -65.51 -36.74 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.46 111.177 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 22' ' ' ILE . 71.7 mt -61.59 -51.16 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.875 -0.602 . . . . 0.27 110.934 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.59 -30.78 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.889 -0.324 . . . . 0.24 110.659 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 78' ' ' HIS . 17.5 t-20 -60.93 -45.47 94.56 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.245 -0.434 . . . . 1.59 110.632 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.2 t80 -60.15 -51.33 70.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 1.25 110.628 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.39 -39.64 91.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.363 -0.381 . . . . 1.22 110.726 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -60.63 -41.9 95.81 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.15 110.364 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.8 t -65.23 -37.14 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.77 0.319 . . . . 0.99 110.41 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' TYR . 65.4 mt -63.19 -45.95 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.416 . . . . 0.43 111.035 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.14 -24.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.47 111.273 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.14 -51.24 59.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 2.22 110.086 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -77.84 -11.91 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.558 0.694 . . . . 2.08 110.27 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp 58.25 53.77 6.25 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.113 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.77 -26.98 21.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.656 0.741 . . . . 2.12 109.476 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.522 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.4 tt -88.95 156.73 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 114.952 -1.022 . . . . 0.51 110.58 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.59 167.33 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.406 -0.361 . . . . 1.82 110.889 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -57.68 -54.38 47.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.625 -0.262 . . . . 2.19 111.52 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.21 -38.82 87.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 2.3 110.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.55 99.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.882 -0.675 . . . . 0.39 112.043 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.64 91.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.38 110.674 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.05 -37.02 83.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.907 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -64.15 -41.5 97.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 0.98 110.151 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.75 -29.78 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.123 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.37 -60.15 3.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.48 110.809 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.6 -36.83 76.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.944 0.402 . . . . 0.36 110.71 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.92 -35.08 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.37 110.679 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.474 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 11.6 ttm -70.76 -38.59 73.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.213 -0.449 . . . . 0.65 110.984 -176.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.64 -40.51 95.13 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.34 -0.615 . . . . 1.99 109.34 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 78.1 m -60.26 -51.56 69.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.354 -0.839 . . . . 1.05 110.791 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 50' ' ' ALA . 55.1 mt -55.85 -53.23 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.201 0.524 . . . . 0.34 110.449 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 17.9 m -59.62 -51.55 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.495 -0.775 . . . . 0.8 111.689 -175.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.56 -35.78 75.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.404 -0.362 . . . . 2.66 111.13 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.33 -41.8 93.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.447 -0.342 . . . . 0.42 111.363 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 44.1 m-85 -82.55 -29.49 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.884 0.373 . . . . 1.24 111.294 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.32 37.35 3.83 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.771 -0.728 . . . . 0.43 113.055 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' SER . 27.7 p90 -138.98 159.48 42.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.623 -0.51 . . . . 1.22 109.623 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -103.04 154.53 19.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.305 0.574 . . . . 2.33 110.754 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 65' ' ' VAL . 80.4 mtm180 -64.71 -18.49 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.198 -0.91 . . . . 3.67 112.614 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.64 -7.28 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 3.2 110.832 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -96.98 -2.93 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.838 0.351 . . . . 0.67 111.224 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 p -57.62 -44.41 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.977 -0.556 . . . . 0.54 111.86 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -65.27 -35.56 81.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 1.63 111.004 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.06 -37.0 82.11 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.019 -0.61 . . . . 0.76 111.973 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.1 mt -66.54 -43.99 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.71 110.241 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 95.2 mt -63.65 -41.73 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.816 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.27 -25.77 67.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.069 -0.586 . . . . 1.25 113.091 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -94.61 0.11 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.723 -0.281 . . . . 3.16 111.426 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 21.9 p -119.56 -173.56 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.299 0.481 . . . . 2.02 112.299 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.14 -19.32 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.64 111.458 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.3 m-85 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.606 -0.724 . . . . 1.7 111.342 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 84.1 m-70 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.731 0.3 . . . . 1.96 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.422 HD11 HD11 ' B' ' 79' ' ' LEU . 60.3 tp -55.16 -38.05 67.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.805 -0.634 . . . . 0.6 111.022 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.41 84.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.829 -0.623 . . . . 0.63 112.013 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 7.0 m-20 -58.08 -40.44 81.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.494 0.664 . . . . 2.3 109.818 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.24 -53.53 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.009 -0.996 . . . . 0.61 111.075 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.24 -33.31 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.164 0.431 . . . . 0.83 112.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -62.26 -40.46 96.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.332 0.587 . . . . 1.83 110.176 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.1 -42.56 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.5 110.919 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 1.71 111.496 -177.708 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.636 -0.505 . . . . 1.09 109.636 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.2 t -72.13 159.31 34.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.605 . . . . 1.33 109.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' B' ' 58' ' ' PHE . 36.3 mtmm -50.72 -49.16 58.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.639 0.257 . . . . 2.1 111.631 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.1 -33.64 76.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.426 -0.352 . . . . 1.58 111.498 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' B' ' 72' ' ' SER . 51.5 mt-10 -68.81 -41.2 78.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.314 0.578 . . . . 1.54 110.18 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.4 mt -68.32 -47.31 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.44 110.48 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.78 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.2 110.82 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.85 74.81 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.31 110.584 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.445 HD11 ' CD1' ' B' ' 74' ' ' PHE . 17.1 mt -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.46 111.134 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 22' ' ' ILE . 71.9 mt -61.48 -51.26 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.001 -0.545 . . . . 0.27 110.956 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.48 -30.86 44.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.987 -0.285 . . . . 0.23 110.66 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' B' ' 78' ' ' HIS . 17.3 t-20 -60.95 -45.43 94.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.643 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.468 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.3 t80 -60.13 -51.29 70.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.567 . . . . 1.25 110.673 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.6 -39.54 91.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 1.22 110.694 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -60.5 -41.99 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.15 110.395 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 14.0 t -65.12 -37.2 86.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.99 110.412 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.7 mt -63.3 -45.83 97.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.44 111.131 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.07 -25.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.65 -0.25 . . . . 0.47 111.219 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.05 -51.29 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 2.22 110.065 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.2 OUTLIER -77.95 -11.66 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.524 0.678 . . . . 2.08 110.216 178.141 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp 57.89 53.88 6.57 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 114.248 -1.342 . . . . 2.6 111.204 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.87 -27.03 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.771 0.796 . . . . 2.11 109.543 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -88.85 156.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.52 110.436 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.47 167.09 17.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.4 -0.364 . . . . 1.82 110.997 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.88 -53.79 54.19 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 111.588 0.218 . . . . 2.19 111.588 -173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.53 -38.92 89.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.488 -0.323 . . . . 2.29 110.721 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.15 -43.66 99.13 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.881 -0.676 . . . . 0.39 112.01 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.62 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.38 110.623 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.17 -36.84 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.882 -0.599 . . . . 1.84 110.881 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.5 m -64.24 -41.45 96.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.179 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.77 -29.84 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.41 111.099 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.32 -60.27 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.454 -0.339 . . . . 0.48 110.729 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.49 -36.92 77.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.97 0.414 . . . . 0.36 110.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.0 -34.89 78.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.37 110.801 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 11.4 ttm -70.66 -38.73 73.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.156 -0.475 . . . . 0.65 111.076 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.58 -40.57 95.22 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.299 -0.63 . . . . 1.99 109.299 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 78.0 m -60.23 -51.55 69.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 1.05 110.814 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.9 mt -55.68 -53.36 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.177 0.513 . . . . 0.33 110.497 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.0 m -59.53 -51.62 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.458 -0.792 . . . . 0.8 111.627 -175.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.63 -35.77 75.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 2.66 111.173 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.21 -41.95 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.41 111.425 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' B' ' 19' ' ' LYS . 44.5 m-85 -81.98 -30.52 31.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 1.24 111.177 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 38.09 3.56 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.741 -0.742 . . . . 0.42 112.861 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 55' ' ' SER . 27.6 p90 -139.53 159.43 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.622 -0.51 . . . . 1.23 109.622 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -103.06 154.48 19.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.13 0.491 . . . . 2.33 110.768 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -64.92 -18.18 65.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.282 -0.872 . . . . 3.67 112.587 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -90.63 -7.58 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.95 0.405 . . . . 3.19 110.75 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.433 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -96.75 -2.8 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.287 -0.415 . . . . 0.66 111.14 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 3.2 p -57.97 -44.42 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.53 111.871 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -65.33 -35.57 81.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.799 0.333 . . . . 1.63 111.036 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.85 -36.67 82.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.929 -0.653 . . . . 0.74 111.957 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 64' ' ' ALA . 73.8 mt -66.95 -44.09 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.7 110.289 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 95.0 mt -63.5 -41.66 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.735 -0.666 . . . . 1.13 110.857 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.45 -25.66 67.22 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.132 -0.556 . . . . 1.24 112.971 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -94.66 0.37 55.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.711 -0.287 . . . . 3.15 111.563 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.421 ' HB3' ' OE2' ' B' ' 21' ' ' GLU . 22.2 p -119.88 -173.5 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.244 0.461 . . . . 2.02 112.244 -174.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.16 -19.34 65.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.687 -0.688 . . . . 2.64 111.502 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.445 ' CD1' HD11 ' B' ' 25' ' ' LEU . 6.3 m-85 . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.66 -0.7 . . . . 1.7 111.352 -170.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' HIS . . . . . 0.552 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 84.2 m-70 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.777 0.323 . . . . 1.95 110.476 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 60.2 tp -55.05 -38.01 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.65 . . . . 0.6 111.155 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.38 84.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.765 -0.652 . . . . 0.63 112.009 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 6.9 m-20 -58.15 -40.67 81.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.58 0.705 . . . . 2.3 109.764 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.92 -53.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.967 -1.015 . . . . 0.61 111.067 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.45 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.109 0.411 . . . . 0.83 112.109 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.23 -40.84 97.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.368 0.604 . . . . 1.83 110.106 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -77.73 -42.39 34.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.417 -0.811 . . . . 1.5 111.039 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 1.7 111.525 -177.678 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' B' ' 80' ' ' ALA . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 120.939 0.399 . . . . 1.09 111.236 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.7 t -65.5 145.58 55.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.806 -0.813 . . . . 1.32 108.806 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -53.83 -42.81 68.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.703 0.287 . . . . 2.1 111.334 -169.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.5 -30.43 70.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.078 -0.51 . . . . 1.57 111.562 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 56.7 mt-10 -68.98 -37.28 78.67 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.182 0.515 . . . . 1.54 110.616 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.0 mt -68.04 -50.41 59.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.7 -0.682 . . . . 0.44 109.79 178.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.61 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.477 -0.783 . . . . 0.2 110.794 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -55.91 -51.42 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.31 110.947 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 74' ' ' PHE . 49.5 mt -69.08 -34.87 75.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.727 0.299 . . . . 0.46 110.906 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 22' ' ' ILE . 63.4 mt -60.13 -52.2 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.27 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.79 -30.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.637 0.256 . . . . 0.24 110.802 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.98 -41.84 98.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.036 0.446 . . . . 1.59 109.947 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 53.9 t80 -63.68 -48.92 75.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.98 -0.555 . . . . 1.25 110.743 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.73 -41.05 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 1.22 110.841 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 t -66.38 -35.34 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.394 -0.366 . . . . 1.15 110.084 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -64.64 -31.95 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.99 110.569 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 56.2 mt -63.26 -49.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.43 110.564 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.66 -23.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 0.47 110.81 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -38.94 80.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.928 -0.578 . . . . 2.22 110.99 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -102.04 2.76 38.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 2.08 110.927 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.79 57.84 5.67 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.262 -0.881 . . . . 2.6 110.302 -174.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.35 -32.78 24.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.947 0.879 . . . . 2.12 109.195 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.5 tt -103.63 155.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.515 -1.221 . . . . 0.51 110.613 -173.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 t -81.38 179.44 7.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.197 -0.456 . . . . 1.82 110.64 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -58.79 -50.67 73.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.096 -0.502 . . . . 2.19 111.731 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.47 -47.7 78.66 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.923 0.392 . . . . 2.3 110.99 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -65.38 -43.54 94.83 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.264 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.48 89.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.38 110.854 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -39.57 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 1.84 111.363 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 p -69.87 -31.88 69.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.831 0.348 . . . . 0.98 110.662 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 63.8 mt -67.29 -27.12 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.41 110.593 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.5 m120 -68.13 -49.06 63.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.434 -0.348 . . . . 0.48 111.027 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.15 -33.8 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.971 0.415 . . . . 0.36 110.173 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -67.8 -32.91 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.37 110.657 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 tpp -57.85 -52.04 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.714 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.05 -27.92 69.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.036 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.73 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.417 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.3 mt -64.11 -48.83 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.34 110.678 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.549 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 29.7 p -61.95 -49.17 77.2 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.05 -0.523 . . . . 0.8 111.308 -176.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.69 -22.89 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 2.66 110.886 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -70.73 -47.37 60.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.489 . . . . 0.42 111.309 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 77.1 m-85 -86.97 -27.27 23.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 1.24 111.975 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.28 31.56 4.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.286 -0.959 . . . . 0.43 113.322 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' SER . 41.4 p90 -138.16 149.19 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 1.22 109.197 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -85.77 159.64 19.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.032 -0.267 . . . . 2.33 110.596 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.675 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.5 ttp180 -54.81 -48.81 72.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.726 0.298 . . . . 3.67 111.153 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.0 -8.7 51.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.932 0.345 . . . . 3.2 111.932 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.59 -12.34 48.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.472 0.177 . . . . 0.67 111.444 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 62' ' ' ARG . 11.4 p -65.26 -30.9 51.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.895 0.378 . . . . 0.54 110.907 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -61.74 -40.89 96.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 1.63 110.331 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.95 -36.99 87.45 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.953 -0.642 . . . . 0.76 111.99 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.97 -48.87 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.432 . . . . 0.71 110.095 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.79 0.78 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.949 -0.569 . . . . 1.14 111.597 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.72 -44.4 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 1.25 111.242 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -84.57 -41.87 16.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.84 -0.18 . . . . 3.16 111.44 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.2 m -67.42 151.82 46.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.565 . . . . 2.02 111.692 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.32 -13.92 62.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.259 -0.882 . . . . 2.64 111.039 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.616 ' CE1' ' HB3' ' B' ' 83' ' ' LEU . 64.7 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.877 -0.602 . . . . 1.7 110.428 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.158 -0.682 . . . . 1.96 109.158 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' LEU . 61.3 tp -55.59 -33.04 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.164 -0.925 . . . . 0.6 111.6 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 17' ' ' ALA . . . -63.93 -48.73 75.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.282 -0.417 . . . . 0.63 111.312 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.51 -41.09 96.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.252 0.548 . . . . 2.3 110.18 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.58 -47.29 82.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.052 -0.976 . . . . 0.61 110.769 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' CE1' ' B' ' 74' ' ' PHE . 5.9 mp -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.769 -0.651 . . . . 0.83 111.176 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.81 -13.52 61.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.854 0.359 . . . . 1.83 111.273 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.5 m -82.24 -9.31 59.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.293 -0.412 . . . . 1.5 110.911 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 1.71 110.93 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 120.979 0.418 . . . . 1.09 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 36.6 t -65.62 145.34 56.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.791 -0.818 . . . . 1.33 108.791 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -53.67 -42.68 68.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.65 0.262 . . . . 2.1 111.371 -169.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.61 -30.5 70.8 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.522 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 56.5 mt-10 -68.85 -37.36 79.08 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.192 0.52 . . . . 1.54 110.594 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.523 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.8 mt -67.98 -50.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.681 -0.69 . . . . 0.44 109.794 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.64 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.2 110.751 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -55.8 -51.57 67.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.31 110.921 176.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 74' ' ' PHE . 50.8 mt -68.86 -34.93 76.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.307 . . . . 0.46 110.969 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 22' ' ' ILE . 63.5 mt -60.12 -52.26 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.27 110.93 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.75 -30.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 121.082 -0.247 . . . . 0.23 110.766 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.13 -41.86 98.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.886 -0.413 . . . . 1.58 109.886 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.4 t80 -63.56 -48.99 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 1.25 110.776 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -59.78 -40.93 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 1.22 110.853 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 t -66.5 -35.19 79.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.367 -0.379 . . . . 1.15 110.177 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.9 t -64.74 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.99 110.499 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 29' ' ' TYR . 55.8 mt -63.2 -49.76 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.613 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.68 -23.75 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.852 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.96 -39.17 80.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.971 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -101.83 2.9 38.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 2.08 110.904 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.55 58.07 5.53 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.297 -0.865 . . . . 2.6 110.329 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.65 -32.39 23.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.999 0.904 . . . . 2.11 109.197 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -103.8 155.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.528 -1.214 . . . . 0.52 110.679 -173.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 t -81.11 179.33 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.084 -0.507 . . . . 1.82 110.815 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -58.82 -50.71 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.759 -171.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.41 -47.8 78.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 2.29 110.979 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.467 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -65.24 -43.66 94.98 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.899 -0.667 . . . . 0.39 112.26 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.47 89.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.38 110.79 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.88 -39.43 87.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 1.84 111.328 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.5 p -70.0 -31.67 69.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.98 110.601 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 64.0 mt -67.6 -26.94 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.29 . . . . 0.41 110.596 174.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.08 -49.13 63.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.471 -0.331 . . . . 0.48 111.047 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.95 -34.01 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.36 110.216 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.553 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -67.71 -33.01 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.37 110.567 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.4 tpp -57.83 -52.04 67.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.65 110.663 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.03 -27.97 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.99 111.066 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.67 -45.52 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 1.05 110.398 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.2 mt -63.94 -48.9 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.42 . . . . 0.33 110.73 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.546 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 29.0 p -61.97 -49.07 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.8 111.306 -176.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -68.87 -22.68 64.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 2.66 110.922 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.82 -47.34 59.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.064 -0.517 . . . . 0.41 111.356 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 77.0 m-85 -87.03 -27.09 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.103 0.409 . . . . 1.24 112.103 -174.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.57 4.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.272 -0.966 . . . . 0.42 113.402 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' B' ' 55' ' ' SER . 41.2 p90 -138.2 149.23 45.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.252 -0.648 . . . . 1.23 109.252 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -85.87 159.51 19.67 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 121.13 -0.228 . . . . 2.33 110.557 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.674 ' O ' HG12 ' B' ' 65' ' ' VAL . 46.4 ttp180 -54.63 -49.12 71.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.564 0.221 . . . . 3.67 111.076 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.87 -8.5 49.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.015 0.376 . . . . 3.19 112.015 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.65 -12.49 48.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.537 0.199 . . . . 0.66 111.537 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.2 p -65.15 -30.98 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.53 110.734 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.0 t -61.72 -40.71 96.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 1.63 110.367 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.05 86.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.943 -0.646 . . . . 0.74 111.941 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.85 -48.89 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.7 110.14 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.95 0.97 11.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 1.13 111.569 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 -44.38 4.85 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.524 -0.846 . . . . 1.24 111.181 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -84.6 -41.93 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.197 . . . . 3.15 111.407 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -67.43 151.85 46.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.179 0.514 . . . . 2.02 111.706 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.23 -14.07 62.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.337 -0.847 . . . . 2.64 111.043 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 64.6 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.902 -0.59 . . . . 1.7 110.482 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.267 -0.642 . . . . 1.95 109.267 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' B' ' 25' ' ' LEU . 61.5 tp -55.57 -33.07 63.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.173 -0.922 . . . . 0.6 111.563 -174.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' A' ' 17' ' ' ALA . . . -63.87 -48.77 75.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.273 -0.421 . . . . 0.63 111.305 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.35 -41.28 96.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.497 0.665 . . . . 2.3 110.252 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.47 -47.24 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.845 -1.07 . . . . 0.61 110.697 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.616 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 5.8 mp -68.06 -34.89 77.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.615 . . . . 0.83 111.191 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.77 -14.14 62.27 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.88 0.372 . . . . 1.83 111.205 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -82.17 -7.96 59.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.201 -0.454 . . . . 1.5 111.076 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 1.7 110.894 179.472 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.199 0.523 . . . . 1.09 109.65 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 23.3 t -76.19 162.64 27.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.785 -0.643 . . . . 1.32 110.182 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.01 -51.72 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.771 0.319 . . . . 2.1 111.254 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.36 -29.65 70.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.57 111.476 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HG21 ' A' ' 68' ' ' ILE . 52.0 mt-10 -67.46 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 1.54 110.103 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 26' ' ' ILE . 43.8 mt -65.5 -48.18 83.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.282 -0.872 . . . . 0.44 110.001 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -30.12 69.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.448 -0.796 . . . . 0.2 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -52.77 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.31 111.058 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 79' ' ' LEU . 33.4 mt -67.66 -34.23 76.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.998 -0.281 . . . . 0.46 110.926 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.6 mt -61.5 -53.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.979 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.3 -32.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 121.136 -0.226 . . . . 0.24 110.949 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.42 -39.55 94.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.59 110.441 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 33' ' ' ILE . 51.2 t80 -60.93 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.558 -0.292 . . . . 1.25 110.404 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -38.44 86.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.866 0.365 . . . . 1.22 110.375 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.93 -40.56 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 1.15 110.085 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 m -64.22 -34.12 77.37 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.98 0.419 . . . . 0.99 110.702 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 60.7 mt -65.72 -50.98 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.874 -0.603 . . . . 0.43 110.939 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.06 -21.19 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.616 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.83 -59.21 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 2.22 110.874 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' A' ' 38' ' ' GLU . 21.6 pttm -96.19 12.31 31.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.551 . . . . 2.08 111.522 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.5 64.66 1.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.937 -1.029 . . . . 2.6 111.702 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 27.7 mm-40 -93.97 -14.19 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.514 0.673 . . . . 2.12 109.903 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.1 tt -113.35 167.36 6.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.22 -0.9 . . . . 0.51 109.835 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 p -69.77 163.13 26.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.769 -0.196 . . . . 1.82 110.495 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.25 -46.45 88.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 2.19 110.442 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.16 -44.47 92.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 2.3 110.527 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -37.31 94.44 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.872 -0.68 . . . . 0.39 112.197 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.12 96.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.642 0.258 . . . . 0.38 110.776 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.3 -37.21 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.84 110.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.3 -40.09 93.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.955 -0.566 . . . . 0.98 110.031 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.36 -27.11 68.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.361 -0.381 . . . . 0.41 111.182 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.68 -53.53 45.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.48 110.826 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.52 -34.13 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.893 0.378 . . . . 0.36 110.238 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.662 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -60.33 -44.78 95.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.37 110.547 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.0 ttm -65.94 -35.98 82.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.65 111.345 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.38 -42.41 98.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.283 -0.636 . . . . 1.99 109.283 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.5 -38.47 77.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.249 -0.887 . . . . 1.05 111.265 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 50' ' ' ALA . 54.8 mt -59.1 -50.0 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.25 0.548 . . . . 0.34 109.756 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 14.2 m -63.34 -41.63 98.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.79 . . . . 0.8 110.669 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.36 -43.19 91.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.505 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.5 86.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.42 111.663 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.99 -20.31 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 1.24 111.454 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.88 44.57 7.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.43 113.128 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 9.1 p90 -139.36 153.25 47.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.604 -0.351 . . . . 1.22 110.272 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.52 147.88 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 2.33 110.648 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.7 mtt180 -65.48 -17.39 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.533 -0.758 . . . . 3.67 110.628 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 -12.54 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.333 -0.394 . . . . 3.2 110.94 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -83.51 -16.81 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.67 111.253 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.5 p -56.28 -39.3 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.328 -0.396 . . . . 0.54 111.721 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m -61.38 -44.57 96.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 1.63 111.026 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.62 90.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.827 -0.701 . . . . 0.76 112.079 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.9 mt -61.94 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.71 110.759 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.34 -6.79 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 1.14 111.628 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.37 -42.71 2.91 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.516 -0.85 . . . . 1.25 111.685 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.59 -51.22 9.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.881 0.372 . . . . 3.16 111.661 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.11 164.71 25.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.734 0.778 . . . . 2.02 112.485 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.93 -6.76 35.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.468 -1.242 . . . . 2.64 111.574 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 1.7 110.421 -179.128 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.3 m170 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.921 0.391 . . . . 1.96 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.3 tp -52.04 -43.52 63.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.433 -0.803 . . . . 0.6 111.265 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.69 91.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.63 111.135 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.7 -40.84 89.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.59 . . . . 2.3 110.21 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.72 -46.12 97.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.187 -0.915 . . . . 0.61 111.535 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' B' ' 83' ' ' LEU . 10.6 mp -69.89 -40.03 75.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.83 111.096 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.04 -21.98 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 1.83 110.522 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -71.22 -22.44 62.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 1.5 110.475 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 1.71 109.834 177.502 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.134 0.492 . . . . 1.09 109.708 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.416 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 23.0 t -76.14 162.43 28.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.265 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.97 -51.69 68.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 2.1 111.221 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.34 -29.65 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 1.58 111.617 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HA ' HG21 ' B' ' 68' ' ' ILE . 52.5 mt-10 -67.31 -44.17 79.85 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.608 0.718 . . . . 1.54 110.115 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.512 ' O ' HG13 ' B' ' 26' ' ' ILE . 44.4 mt -65.07 -48.37 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.111 -0.95 . . . . 0.44 109.878 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.17 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.56 -0.745 . . . . 0.2 111.184 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.02 62.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.945 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' B' ' 79' ' ' LEU . 34.0 mt -67.2 -34.32 77.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.738 -0.385 . . . . 0.46 111.109 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 22' ' ' ILE . 61.3 mt -61.47 -53.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.27 111.01 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.24 -32.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.615 0.245 . . . . 0.23 111.062 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -64.3 -39.78 94.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.479 -0.328 . . . . 1.58 110.382 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' B' ' 33' ' ' ILE . 51.0 t80 -60.77 -48.7 80.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.25 110.484 177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.16 -38.37 86.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 1.22 110.411 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -40.69 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.539 . . . . 1.15 110.102 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.8 m -63.95 -34.59 78.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.108 0.48 . . . . 0.99 110.632 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 60.4 mt -65.39 -50.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.44 110.911 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.31 -20.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.695 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.23 -59.24 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.389 . . . . 2.22 110.808 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' B' ' 38' ' ' GLU . 21.5 pttm -96.26 12.43 31.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.244 0.545 . . . . 2.08 111.518 -177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.62 64.62 1.28 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.915 -1.038 . . . . 2.6 111.689 174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 29.0 mm-40 -94.04 -14.03 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.414 0.626 . . . . 2.11 109.901 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.1 tt -113.42 167.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.315 -0.857 . . . . 0.52 109.844 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 30.4 p -69.93 163.22 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.523 -0.177 . . . . 1.82 110.523 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.25 -46.71 87.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.829 0.347 . . . . 2.19 110.405 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.98 -44.65 91.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.784 -0.644 . . . . 2.29 110.47 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.4 94.63 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.39 112.167 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.38 110.84 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.28 -37.22 86.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 1.84 110.648 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.22 -40.1 93.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.995 -0.548 . . . . 0.98 109.981 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.52 -26.96 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.41 111.2 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.66 -53.68 43.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 0.48 110.853 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.41 -34.2 67.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.798 -0.361 . . . . 0.36 110.223 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.66 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -60.29 -44.83 95.02 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.37 110.474 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 14.1 ttm -65.83 -36.14 82.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.392 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.7 m -69.33 -38.64 78.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.119 -0.946 . . . . 1.05 111.256 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.2 mt -58.98 -50.01 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.243 0.544 . . . . 0.33 109.778 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.5 m -63.38 -41.68 98.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.441 -0.799 . . . . 0.8 110.614 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.14 -43.69 91.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.655 -0.702 . . . . 2.66 111.349 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.605 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.88 -20.06 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.427 -0.351 . . . . 1.24 111.366 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.93 7.67 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.166 -0.54 . . . . 0.42 113.043 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 9.4 p90 -139.67 153.33 47.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.978 0.389 . . . . 1.23 110.171 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.53 148.04 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 2.33 110.759 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.5 ' O ' HG12 ' B' ' 65' ' ' VAL . 79.0 mtt180 -66.02 -16.54 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.704 . . . . 3.67 110.679 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.17 -12.59 46.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.89 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.467 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -83.51 -16.75 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.339 -0.392 . . . . 0.66 111.279 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.5 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.4 p -56.27 -39.54 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.287 -0.415 . . . . 0.53 111.636 -176.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.3 m -61.21 -44.63 96.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 1.63 111.137 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.47 -39.75 91.22 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.991 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 64' ' ' ALA . 74.7 mt -61.88 -45.47 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.7 110.761 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.6 -6.71 42.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.311 -0.404 . . . . 1.13 111.648 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.36 -42.95 2.85 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.645 -0.788 . . . . 1.24 111.658 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.44 -51.21 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.69 0.281 . . . . 3.15 111.634 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 55.4 m -71.17 164.77 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.584 0.707 . . . . 2.02 112.572 -170.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.96 -6.82 35.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.557 -1.201 . . . . 2.64 111.452 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.907 -0.588 . . . . 1.7 110.402 -179.208 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.003 0.43 . . . . 1.95 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.469 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.529 -0.76 . . . . 0.6 111.289 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.8 91.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.63 111.183 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.47 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 2.3 110.307 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.75 -46.04 97.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.128 -0.942 . . . . 0.61 111.657 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 83' ' ' LEU . 10.6 mp -69.89 -40.06 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.812 0.339 . . . . 0.83 111.119 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -67.94 -21.96 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.06 0.457 . . . . 1.83 110.476 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -71.27 -22.46 61.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 1.5 110.436 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.105 0.479 . . . . 1.7 109.872 177.477 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.347 0.594 . . . . 1.09 110.608 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 t -71.4 142.47 50.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.422 -0.808 . . . . 1.32 109.382 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -56.71 -30.34 63.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.441 -0.8 . . . . 2.1 111.956 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.94 -38.94 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 1.57 110.653 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -69.5 -46.74 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.284 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' ILE . 54.0 mt -60.18 -51.38 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 0.44 110.544 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.42 84.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.2 110.882 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.97 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.31 110.938 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 87.8 mt -66.36 -38.49 87.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.46 110.694 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 22' ' ' ILE . 87.9 mt -63.72 -52.14 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.27 111.227 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.17 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.815 0.34 . . . . 0.24 110.721 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.41 -37.87 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.59 110.168 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' HG13 ' A' ' 33' ' ' ILE . 38.8 t80 -63.91 -49.88 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 1.25 110.492 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.77 -37.42 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.451 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -35.04 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.15 110.127 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -68.68 -33.17 73.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.384 . . . . 0.99 110.288 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 29' ' ' TYR . 51.2 mt -63.1 -45.94 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.43 110.525 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.73 -21.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.432 . . . . 0.47 110.973 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.47 -49.58 73.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.034 0.445 . . . . 2.22 110.113 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 10.1 ptpp? -86.93 -1.94 58.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.347 0.594 . . . . 2.08 110.454 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.59 52.85 13.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.501 -1.227 . . . . 2.6 111.269 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 3.6 tm-20 -84.82 -28.0 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.547 -0.909 . . . . 2.12 108.547 -178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.0 tt -90.9 156.16 3.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.707 -1.133 . . . . 0.51 110.176 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -75.91 166.08 24.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 1.82 110.818 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -52.11 -50.78 60.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.276 0.36 . . . . 2.19 111.839 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.28 -44.77 80.12 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.206 -0.452 . . . . 2.3 110.937 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -68.62 -35.16 80.17 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.68 -0.771 . . . . 0.39 112.181 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.93 81.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.627 0.251 . . . . 0.38 110.922 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.26 -35.22 80.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.157 0.503 . . . . 1.84 110.529 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -65.92 -38.0 87.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.643 -0.708 . . . . 0.98 110.455 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 -26.16 65.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.41 111.178 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -66.33 -55.35 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.499 -0.319 . . . . 0.48 110.746 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.31 -37.99 81.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 110.252 -0.277 . . . . 0.36 110.252 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -58.57 -46.28 87.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.408 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttm -62.3 -41.97 98.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.65 111.473 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.03 -44.08 94.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.084 -0.507 . . . . 1.99 109.753 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 84.4 m -66.79 -38.56 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.507 -0.77 . . . . 1.05 111.515 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 50' ' ' ALA . 61.9 mt -59.95 -51.13 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.265 0.555 . . . . 0.34 109.719 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -63.71 -43.63 95.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.352 -0.84 . . . . 0.8 110.735 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.45 -35.38 79.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.643 . . . . 2.66 110.605 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -70.36 -48.2 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.42 111.788 -176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.64 -22.9 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 1.24 111.386 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.15 47.66 2.8 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.784 -0.722 . . . . 0.43 112.934 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -143.92 167.26 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.868 -0.419 . . . . 1.22 109.868 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.77 150.32 23.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.009 0.433 . . . . 2.33 110.444 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.28 -19.94 63.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 3.67 110.947 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.17 -7.33 59.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 3.2 110.462 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.0 8.99 24.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.112 -0.494 . . . . 0.67 111.166 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.33 -35.33 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.54 110.331 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 p -68.81 -28.42 66.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 1.63 110.497 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.77 58.14 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.76 111.597 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.84 -49.6 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.737 0.303 . . . . 0.71 110.211 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 83.8 mt -74.03 4.69 5.11 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.178 -0.465 . . . . 1.14 111.702 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.53 -19.61 19.9 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.586 -0.816 . . . . 1.25 111.699 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.97 -14.74 12.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.849 0.357 . . . . 3.16 110.884 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 69' ' ' LEU . 59.1 p -72.26 161.78 30.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 2.02 111.071 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.48 23.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.175 0.512 . . . . 2.64 110.497 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.549 -0.75 . . . . 1.7 109.077 177.748 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.0 m170 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.552 -0.166 . . . . 1.96 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 46.5 tp -52.43 -52.68 52.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.6 111.396 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.614 . . . . 0.63 111.921 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.54 -36.13 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 2.3 109.963 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 74.1 mt -60.18 -51.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 0.61 110.228 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.58 -31.53 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 0.83 111.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.71 -28.78 69.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 1.83 110.848 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t -83.67 -9.84 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.076 -0.511 . . . . 1.5 110.597 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.71 110.844 -178.047 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.346 0.593 . . . . 1.09 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.4 t -71.4 142.35 50.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.577 -0.738 . . . . 1.33 109.362 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.68 -30.3 63.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.459 -0.791 . . . . 2.1 111.863 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 1.58 110.634 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.45 -46.68 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 1.54 110.397 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.467 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.2 mt -60.27 -51.3 74.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.141 -0.936 . . . . 0.44 110.552 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.36 84.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.2 110.99 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.23 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 0.31 110.951 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 87.7 mt -66.42 -38.55 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.46 110.7 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 22' ' ' ILE . 87.7 mt -63.69 -52.16 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.27 111.22 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.28 -33.39 63.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.932 -0.307 . . . . 0.23 110.681 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.42 -38.19 84.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 1.58 110.098 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.554 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.1 t80 -63.62 -49.97 71.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.385 . . . . 1.25 110.515 177.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.71 -37.51 84.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 1.22 110.471 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.15 110.172 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -32.96 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.99 110.43 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 29' ' ' TYR . 50.8 mt -63.32 -45.83 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.381 -0.372 . . . . 0.44 110.507 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.74 -22.03 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.47 110.965 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -49.61 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.22 110.187 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.9 -1.9 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 2.08 110.442 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.64 52.55 13.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.476 -1.238 . . . . 2.6 111.222 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -84.43 -28.22 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.492 -0.929 . . . . 2.11 108.492 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.9 tt -90.89 155.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.733 -1.121 . . . . 0.52 110.265 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -75.45 166.11 24.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.506 -0.316 . . . . 1.82 110.89 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.29 -50.71 61.62 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.319 0.387 . . . . 2.19 111.867 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -56.18 -44.96 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 2.29 110.894 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -68.58 -35.19 80.46 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.716 -0.754 . . . . 0.39 112.153 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.01 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.38 110.978 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.18 -35.29 80.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.116 0.484 . . . . 1.84 110.415 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -66.02 -37.88 87.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.754 -0.657 . . . . 0.98 110.465 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.77 -26.1 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.41 111.112 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.44 -55.33 16.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.32 . . . . 0.48 110.805 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.13 -38.05 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.36 110.227 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.677 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -58.62 -46.11 87.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.37 110.491 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.4 ttm -62.47 -41.89 99.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.65 111.509 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.02 -44.17 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.99 109.731 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 79.0 m -66.63 -38.68 87.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.595 -0.73 . . . . 1.05 111.513 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.677 HG13 ' O ' ' B' ' 50' ' ' ALA . 61.9 mt -59.86 -51.19 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.345 0.593 . . . . 0.33 109.64 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.6 m -63.59 -43.59 96.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.846 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.59 -35.15 78.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 2.66 110.571 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -70.46 -48.22 56.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.41 111.767 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -79.89 -22.6 42.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 1.24 111.375 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.18 47.29 2.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.785 -0.721 . . . . 0.42 112.87 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -143.74 167.1 23.07 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.898 -0.408 . . . . 1.23 109.898 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -102.67 150.29 23.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 2.33 110.389 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -69.46 -19.7 63.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 3.67 110.947 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.14 -7.7 59.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.001 -0.545 . . . . 3.19 110.471 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.69 9.09 25.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.66 111.167 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.41 -35.33 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.53 110.368 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -68.73 -28.57 66.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.976 0.417 . . . . 1.63 110.421 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.09 60.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.555 -0.618 . . . . 0.74 111.555 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.76 -49.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.132 -0.322 . . . . 0.7 110.132 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.423 ' HA ' ' OG ' ' B' ' 72' ' ' SER . 83.8 mt -74.2 5.03 4.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 1.13 111.72 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.67 19.15 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.613 -0.803 . . . . 1.24 111.519 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.84 -14.79 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 3.15 110.873 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' B' ' 69' ' ' LEU . 60.0 p -72.18 161.77 30.41 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.124 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.34 23.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.202 0.525 . . . . 2.64 110.513 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.099 177.762 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m170 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.554 -0.165 . . . . 1.95 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 46.6 tp -52.42 -52.6 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.6 111.464 -175.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.07 87.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.63 111.866 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.54 -36.2 82.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.235 0.54 . . . . 2.3 109.852 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 74.5 mt -60.19 -51.49 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.468 -0.787 . . . . 0.61 110.241 174.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.83 111.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.61 -29.02 70.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.069 0.461 . . . . 1.83 110.852 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -84.03 -8.6 59.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.101 -0.499 . . . . 1.5 110.618 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 1.7 110.882 -178.517 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.701 0.286 . . . . 1.09 110.357 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.11 161.03 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.467 -0.333 . . . . 1.32 110.695 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -57.54 -49.04 77.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.809 0.3 . . . . 2.1 111.809 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.6 -31.98 70.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.454 -0.339 . . . . 1.57 111.148 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.97 -43.25 99.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.288 0.566 . . . . 1.54 110.182 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' ILE . 67.8 mt -68.69 -48.07 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.364 -0.835 . . . . 0.44 110.57 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.48 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.2 111.103 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.52 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.31 110.839 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 79.6 mt -69.48 -35.89 76.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.982 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ILE . 78.3 mt -63.39 -50.57 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.937 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.01 -31.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.967 -0.293 . . . . 0.24 110.572 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -62.51 -44.94 95.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.365 . . . . 1.59 110.574 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 38.4 t80 -60.23 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 1.25 110.707 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.86 -37.43 87.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 1.22 110.796 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -60.42 -45.77 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 1.15 110.135 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.9 t -62.32 -40.2 95.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.229 -0.441 . . . . 0.99 110.288 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 29' ' ' TYR . 50.9 mt -58.02 -50.91 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.43 111.362 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.89 -19.71 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 0.47 111.219 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.37 -56.72 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.205 -0.452 . . . . 2.22 110.892 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' SER . 21.4 ptmt -92.67 3.1 56.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 2.08 111.33 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.51 77.82 0.31 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.314 -0.857 . . . . 2.6 111.314 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 25.4 mm-40 -109.24 1.76 20.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.503 -0.771 . . . . 2.12 109.909 176.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.539 HD11 ' HB1' ' B' ' 57' ' ' ALA . 13.8 tt -134.15 168.71 23.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.32 -0.854 . . . . 0.51 109.913 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 p -72.39 165.07 25.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.974 0.171 . . . . 1.82 111.192 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -56.72 -47.4 80.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.995 0.426 . . . . 2.19 110.474 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.47 -41.46 93.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.3 111.026 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.24 -36.52 93.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.39 112.211 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.99 74.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 0.38 110.498 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.41 -45.34 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.466 -0.788 . . . . 1.84 111.165 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 p -67.86 -34.34 76.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.98 110.729 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.71 -29.19 69.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.41 111.153 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -64.98 -57.28 9.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.699 -0.228 . . . . 0.48 111.099 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.53 -33.82 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.123 0.487 . . . . 0.36 110.424 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.37 110.663 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.8 ttm -69.14 -36.26 77.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.65 110.868 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.96 -41.36 87.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.076 -0.713 . . . . 1.99 109.076 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.07 -52.62 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 1.05 110.977 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 53.3 mt -52.45 -52.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.16 0.505 . . . . 0.34 110.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -61.13 -49.29 77.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.8 111.299 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.21 -34.1 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 2.66 111.287 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -64.12 -41.12 97.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.317 -0.401 . . . . 0.42 111.257 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -85.64 -26.61 25.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.334 -0.394 . . . . 1.24 111.106 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.29 38.07 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.788 -0.72 . . . . 0.43 113.159 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 55' ' ' SER . 34.6 p90 -139.95 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.726 -0.472 . . . . 1.22 109.726 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.7 148.75 43.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.948 0.404 . . . . 2.33 110.476 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.5 ttt180 -60.24 -21.24 61.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.433 -0.803 . . . . 3.67 112.1 -175.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.4 -18.72 58.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.818 0.342 . . . . 3.2 110.674 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -98.23 5.79 48.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.444 -0.344 . . . . 0.67 111.627 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 62' ' ' ARG . 9.6 p -63.71 -35.79 74.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.601 -0.272 . . . . 0.54 111.624 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t -66.68 -40.45 88.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 1.63 110.125 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.73 -40.11 98.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.094 -0.574 . . . . 0.76 111.692 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 64' ' ' ALA . 67.7 mt -64.89 -53.82 37.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.331 -0.248 . . . . 0.71 110.331 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.73 -34.18 76.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.384 -0.371 . . . . 1.14 111.674 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.07 84.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.918 -0.658 . . . . 1.25 112.539 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.64 -29.25 20.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.268 0.556 . . . . 3.16 110.354 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -78.82 164.02 24.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.762 -0.653 . . . . 2.02 110.662 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -87.27 38.0 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.132 -0.485 . . . . 2.64 110.679 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.7 110.23 -175.623 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.068 -0.715 . . . . 1.96 109.068 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 83' ' ' LEU . 46.8 tp -53.08 -46.45 68.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.198 0.523 . . . . 0.6 110.524 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.86 82.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.63 111.936 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -62.72 -41.05 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.545 0.688 . . . . 2.3 109.599 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.82 -48.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.889 -1.051 . . . . 0.61 110.944 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.6 mp -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.514 . . . . 0.83 111.008 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.71 -25.79 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.294 0.569 . . . . 1.83 110.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -88.4 -10.18 50.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 1.5 110.703 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 1.71 111.312 -176.074 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.695 0.283 . . . . 1.09 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.25 161.06 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 1.33 110.689 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -57.56 -49.12 77.41 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.749 0.277 . . . . 2.1 111.749 -173.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.58 111.095 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.92 -43.27 99.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.295 0.569 . . . . 1.54 110.197 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 26' ' ' ILE . 67.0 mt -68.54 -48.28 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.42 -0.809 . . . . 0.44 110.527 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.44 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.2 111.14 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.63 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.31 110.87 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 79.0 mt -69.49 -35.82 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.46 110.927 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 22' ' ' ILE . 78.6 mt -63.48 -50.51 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.925 -0.579 . . . . 0.27 110.938 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.06 -31.13 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.853 -0.339 . . . . 0.23 110.575 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -62.47 -44.92 95.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.954 0.407 . . . . 1.58 110.572 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.503 ' CZ ' HD11 ' B' ' 33' ' ' ILE . 38.4 t80 -60.26 -51.05 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 1.25 110.691 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -63.73 -37.48 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.697 0.284 . . . . 1.22 110.879 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.3 t -60.44 -45.57 93.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 1.15 110.228 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 23.6 t -62.38 -40.26 95.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.99 110.37 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.503 HD11 ' CZ ' ' B' ' 29' ' ' TYR . 51.0 mt -58.08 -50.83 76.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.348 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.85 -19.86 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.813 0.34 . . . . 0.47 111.16 -176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.49 -56.35 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.989 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 32' ' ' SER . 21.4 ptmt -92.74 2.91 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 2.08 111.429 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.56 77.8 0.31 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.267 -0.878 . . . . 2.6 111.372 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 25.6 mm-40 -109.15 1.56 20.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.11 109.885 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.546 HD11 ' HB1' ' A' ' 57' ' ' ALA . 13.7 tt -133.99 168.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.215 -0.902 . . . . 0.52 109.925 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 55.1 p -72.3 165.13 25.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.962 0.164 . . . . 1.82 111.035 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.69 -47.49 79.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 2.19 110.496 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.45 -41.5 93.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 2.29 110.96 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.44 93.43 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.801 -0.714 . . . . 0.39 112.188 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.297 0.57 . . . . 0.38 110.518 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.2 -45.42 73.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 1.84 111.228 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -67.95 -34.24 76.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.98 110.645 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 47' ' ' LEU . 39.2 mt -61.84 -29.3 70.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.41 111.208 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -64.77 -57.39 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.596 -0.275 . . . . 0.48 111.221 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.54 -33.48 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.034 0.445 . . . . 0.36 110.494 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.63 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.72 -38.81 92.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.37 110.591 176.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 16.7 ttm -69.25 -36.14 76.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.865 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.86 -41.25 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.207 -0.664 . . . . 1.99 109.207 173.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 86.2 m -65.34 -52.55 53.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.104 -0.953 . . . . 1.05 111.011 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.63 HG13 ' O ' ' B' ' 50' ' ' ALA . 53.9 mt -52.5 -52.81 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.071 0.463 . . . . 0.33 110.605 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -61.14 -49.51 76.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.8 111.129 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.0 -34.11 74.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 2.66 111.285 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -64.33 -40.75 96.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.41 111.204 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.82 -26.66 25.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 1.24 111.13 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.16 38.22 3.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.175 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.447 ' O ' ' HB3' ' B' ' 55' ' ' SER . 34.8 p90 -140.08 173.86 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.71 148.82 43.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.01 0.433 . . . . 2.33 110.403 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 78.6 ttt180 -60.16 -21.37 61.57 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.278 -0.874 . . . . 3.67 112.028 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.44 -18.55 58.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.824 0.345 . . . . 3.19 110.681 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.436 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -98.44 5.85 47.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.66 111.588 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 9.6 p -63.63 -35.92 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.657 0.243 . . . . 0.53 111.657 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -40.32 88.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 1.63 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.72 -39.95 98.02 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.003 -0.618 . . . . 0.74 111.763 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 64' ' ' ALA . 67.5 mt -65.1 -53.63 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.355 -0.239 . . . . 0.7 110.355 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.689 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.02 -33.08 84.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.949 -0.643 . . . . 1.24 112.53 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.76 -29.35 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.099 0.476 . . . . 3.15 110.276 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -78.61 164.02 25.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.791 -0.641 . . . . 2.02 110.641 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -87.22 37.96 0.79 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 2.64 110.718 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.605 . . . . 1.7 110.286 -175.624 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.157 -0.682 . . . . 1.95 109.157 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.428 ' O ' HD13 ' B' ' 83' ' ' LEU . 46.6 tp -53.06 -46.57 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.543 . . . . 0.6 110.474 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.8 82.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.629 -0.714 . . . . 0.63 111.868 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.77 -40.86 98.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.526 0.679 . . . . 2.3 109.727 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.93 -48.51 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.864 -1.062 . . . . 0.61 110.911 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.428 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.6 mp -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.83 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.83 -25.49 68.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.236 0.541 . . . . 1.83 110.323 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -89.13 -9.62 50.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 1.5 110.625 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.277 -176.26 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.317 -0.623 . . . . 1.09 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -72.06 149.54 44.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.635 -0.711 . . . . 1.32 110.61 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.71 -45.64 49.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.227 0.329 . . . . 2.1 111.532 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.5 -38.58 91.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 1.57 111.629 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.352 0.596 . . . . 1.54 109.96 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.5 mt -64.2 -50.26 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.063 -0.971 . . . . 0.44 110.521 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.55 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.752 -0.658 . . . . 0.2 111.5 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.62 88.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.974 -0.557 . . . . 0.31 111.124 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.03 -28.3 54.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.784 0.326 . . . . 0.46 110.852 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.7 mt -64.86 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.007 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -27.0 37.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.24 110.649 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.82 -44.44 94.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.59 110.573 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.0 t80 -62.24 -49.86 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.25 110.807 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.57 -41.36 85.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 1.22 110.983 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -68.22 -25.73 65.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 1.15 110.44 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 -30.19 44.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.429 -0.35 . . . . 0.99 110.848 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 29' ' ' TYR . 15.0 mt -68.48 -47.47 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.43 110.255 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.95 -25.11 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.47 111.004 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.89 -50.42 73.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 2.22 110.925 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -99.22 5.37 46.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 2.08 111.566 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 56.45 58.85 3.94 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.042 -0.981 . . . . 2.6 111.017 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -100.11 0.13 40.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.927 0.87 . . . . 2.12 109.435 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -110.37 155.72 11.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.384 -1.28 . . . . 0.51 109.672 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 p -64.42 146.64 54.18 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.477 -0.329 . . . . 1.82 110.637 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.68 -47.95 63.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.809 0.338 . . . . 2.19 111.27 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.82 -49.35 78.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 2.3 110.791 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.88 -34.08 85.93 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.39 112.736 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.47 90.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.38 110.815 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.84 -35.48 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 1.84 110.164 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 m -62.39 -36.32 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.98 110.481 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' MET . 22.9 mt -73.85 -16.6 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.954 -0.298 . . . . 0.41 111.221 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.71 -47.3 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 0.48 110.652 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.62 -34.81 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.36 109.706 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.3 -34.91 77.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.37 110.862 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 28.0 tpp -56.39 -45.28 80.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.948 -0.569 . . . . 0.65 110.729 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.71 -39.74 94.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 1.99 110.234 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.39 -41.94 96.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 1.05 111.364 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 50' ' ' ALA . 64.4 mt -62.38 -50.21 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.34 109.83 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 19.8 m -59.28 -42.58 91.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.8 110.785 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.25 -39.75 94.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 2.66 111.216 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.42 112.029 -177.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 86.0 m-85 -102.96 -15.76 16.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 1.24 111.619 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 34.44 9.25 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.863 -0.684 . . . . 0.43 113.538 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.6 p90 -132.06 172.7 12.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.017 0.409 . . . . 1.22 110.17 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -108.65 154.14 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.666 -0.494 . . . . 2.33 109.666 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.9 ttt180 -58.56 -43.38 89.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.107 -0.237 . . . . 3.67 110.915 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.74 9.26 1.52 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.936 0.347 . . . . 3.2 111.936 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.42 -2.44 14.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.66 -0.245 . . . . 0.67 111.265 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.2 p -64.04 -33.0 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.794 0.331 . . . . 0.54 110.689 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 t -58.11 -45.39 87.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 1.63 110.25 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.67 95.53 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.041 -0.599 . . . . 0.76 112.163 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.84 -48.55 87.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.71 110.599 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.09 -41.54 98.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 1.14 111.205 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.5 77.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.644 -0.789 . . . . 1.25 112.408 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.86 21.54 17.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.757 0.313 . . . . 3.16 111.503 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.6 p -99.8 158.67 15.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.846 0.355 . . . . 2.02 110.313 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.64 20.73 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.739 0.781 . . . . 2.64 109.439 172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' B' ' 83' ' ' LEU . 6.0 m-30 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 114.361 -1.29 . . . . 1.7 109.658 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.353 0.597 . . . . 1.96 110.121 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 26' ' ' ILE . 36.0 tp -59.76 -42.4 93.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.714 -1.13 . . . . 0.6 112.218 -174.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.63 111.698 -175.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.85 -37.01 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.444 0.64 . . . . 2.3 109.952 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.21 -57.19 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.141 -0.936 . . . . 0.61 111.321 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.651 ' HB3' ' CE2' ' B' ' 74' ' ' PHE . 10.8 mp -61.4 -28.81 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.83 111.304 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.5 -47.51 81.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.83 110.442 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.0 t -84.53 -9.61 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 1.5 111.108 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 121.102 0.477 . . . . 1.71 111.889 -175.5 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 109.247 -0.649 . . . . 1.09 109.247 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -71.94 149.7 44.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.645 -0.707 . . . . 1.33 110.649 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.9 -45.64 51.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.172 0.295 . . . . 2.1 111.425 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.45 -38.51 91.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.58 111.651 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.04 -43.21 96.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.614 0.721 . . . . 1.54 109.937 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.9 mt -63.94 -50.29 78.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.964 -1.016 . . . . 0.44 110.473 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.46 70.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.472 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.87 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.547 . . . . 0.31 110.999 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.46 -28.48 56.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.712 -0.395 . . . . 0.46 111.066 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 62.2 mt -64.73 -51.53 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.27 110.983 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -26.95 36.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.808 0.337 . . . . 0.23 110.635 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.79 -44.38 93.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.57 . . . . 1.58 110.544 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.58 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.9 t80 -62.35 -49.76 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 1.25 110.852 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.55 -41.34 85.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.22 110.99 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -68.41 -25.56 65.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 1.15 110.496 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.71 -30.48 46.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.817 0.341 . . . . 0.99 110.782 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.58 HG13 ' O ' ' B' ' 29' ' ' TYR . 15.4 mt -68.4 -47.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.847 0.355 . . . . 0.44 110.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.09 -25.05 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.894 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.99 -50.5 73.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 2.22 110.876 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.23 5.67 46.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 2.08 111.63 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 56.15 58.93 3.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.098 -0.955 . . . . 2.6 111.044 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -100.43 0.41 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.831 0.824 . . . . 2.11 109.423 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.501 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.8 tt -110.59 155.5 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.409 -1.269 . . . . 0.52 109.734 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.4 p -64.2 146.56 54.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.439 -0.346 . . . . 1.82 110.694 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.74 -47.78 63.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.982 0.42 . . . . 2.19 111.336 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.03 -49.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.765 -0.652 . . . . 2.29 110.734 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.1 -33.93 86.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 0.39 112.763 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.76 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.38 110.76 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.78 -35.3 74.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.182 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.6 m -62.38 -36.36 82.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.98 110.504 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 51' ' ' MET . 23.5 mt -73.82 -16.69 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.002 -0.279 . . . . 0.41 111.211 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.55 -47.38 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.48 110.717 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.59 -34.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.476 . . . . 0.36 109.755 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.525 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.4 -34.87 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.682 -0.69 . . . . 0.37 110.9 176.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' B' ' 47' ' ' LEU . 28.0 tpp -56.43 -45.29 80.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.96 -0.564 . . . . 0.65 110.719 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.58 -39.88 94.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 1.99 110.287 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.3 -41.97 96.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 1.05 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.9 mt -62.24 -50.31 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.118 0.485 . . . . 0.33 109.84 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 19.9 m -59.32 -42.59 91.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.626 -0.716 . . . . 0.8 110.762 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.659 . . . . 2.66 111.174 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.44 -34.46 75.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.41 111.965 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 86.7 m-85 -102.96 -15.96 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.648 0.261 . . . . 1.24 111.472 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.86 34.64 8.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.937 -0.649 . . . . 0.42 113.388 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.2 p90 -132.29 172.68 12.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.08 0.44 . . . . 1.23 110.125 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -108.61 154.09 22.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.702 -0.481 . . . . 2.33 109.702 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.586 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.8 ttt180 -58.65 -43.24 89.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.583 0.23 . . . . 3.67 110.843 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -73.88 9.24 1.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.826 0.306 . . . . 3.19 111.826 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.66 -2.31 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.672 -0.24 . . . . 0.66 111.251 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.2 p -64.06 -33.01 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.706 0.289 . . . . 0.53 110.742 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 43.8 t -58.08 -45.38 87.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.63 110.247 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.22 -43.44 95.36 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.882 -0.599 . . . . 0.74 112.152 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -48.52 87.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-O 120.609 0.242 . . . . 0.7 110.493 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.02 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 1.13 111.22 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.01 -30.73 78.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.712 -0.756 . . . . 1.24 112.346 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.59 21.37 17.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.348 . . . . 3.15 111.562 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 91.0 p -99.67 158.66 15.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.835 0.35 . . . . 2.02 110.343 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -92.56 20.92 5.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.692 0.758 . . . . 2.64 109.51 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.651 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 m-30 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 114.424 -1.262 . . . . 1.7 109.666 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.312 0.577 . . . . 1.95 110.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 26' ' ' ILE . 35.6 tp -59.84 -42.35 93.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.811 -1.086 . . . . 0.6 112.218 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.3 95.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.399 -0.364 . . . . 0.63 111.644 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.77 -37.16 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 2.3 110.033 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.07 -57.09 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.969 -1.014 . . . . 0.61 111.331 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.655 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.8 mp -61.44 -28.92 69.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.83 111.273 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.49 -47.7 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 1.83 110.386 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -84.79 -8.49 58.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 1.5 111.184 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 1.7 111.84 -175.655 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 121.065 0.46 . . . . 1.09 111.526 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -75.84 178.01 6.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.041 -0.527 . . . . 1.32 110.202 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.88 -46.02 78.4 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.769 0.285 . . . . 2.1 111.769 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.95 -36.04 81.32 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.765 0.317 . . . . 1.57 110.956 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.27 -42.64 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.211 0.529 . . . . 1.54 110.583 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 26' ' ' ILE . 83.3 mt -68.9 -46.0 79.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.54 -0.754 . . . . 0.44 110.504 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.51 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.2 110.998 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.51 80.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.31 110.774 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 28' ' ' ASN . 23.0 mt -70.42 -32.22 69.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.584 -0.28 . . . . 0.46 111.306 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 22' ' ' ILE . 75.0 mt -62.7 -50.95 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.472 -0.331 . . . . 0.27 110.876 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.47 -25.72 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.24 110.431 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t-20 -62.69 -36.24 82.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 1.59 110.717 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 33' ' ' ILE . 49.1 t80 -72.73 -46.77 51.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 1.25 110.836 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.9 -40.02 94.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.22 111.384 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 p -63.61 -32.33 73.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 1.15 110.895 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 m -66.62 -42.64 86.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.894 0.378 . . . . 0.99 110.436 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.523 HD11 ' CE2' ' A' ' 29' ' ' TYR . 54.9 mt -58.27 -49.78 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.821 -0.627 . . . . 0.43 111.149 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.14 -28.73 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.367 -0.379 . . . . 0.47 111.384 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.59 -48.41 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.636 0.255 . . . . 2.22 111.087 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -90.34 2.93 55.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 2.08 111.319 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp 57.19 54.94 6.32 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.483 -0.78 . . . . 2.6 110.588 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.83 -19.28 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.854 0.835 . . . . 2.12 108.968 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.0 tt -111.79 160.48 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.676 -1.147 . . . . 0.51 109.977 -177.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -78.39 170.11 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.697 -0.229 . . . . 1.82 111.245 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.79 -53.03 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.66 0.615 . . . . 2.19 112.66 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.86 -44.07 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 2.3 110.79 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.73 97.83 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.755 -0.657 . . . . 0.39 112.526 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.46 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.38 110.634 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.12 -37.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 1.84 110.538 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 49' ' ' VAL . 12.4 t -61.97 -45.11 95.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.648 -0.706 . . . . 0.98 110.034 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -22.08 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.309 . . . . 0.41 111.205 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.69 -43.61 65.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.692 -0.231 . . . . 0.48 111.005 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 46' ' ' SER . 11.0 p -70.48 -31.13 45.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.448 -0.575 . . . . 0.36 109.448 177.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' B' ' 53' ' ' CYS . . . -66.69 -34.73 78.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.37 110.431 174.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.418 ' CA ' ' HE3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -60.17 -53.46 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.65 109.886 179.114 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.51 -38.94 91.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 1.99 110.51 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' B' ' 50' ' ' ALA . 10.7 t -55.3 -57.12 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.68 -0.691 . . . . 1.05 111.181 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.83 -37.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.34 110.534 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.8 110.622 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.88 -47.6 71.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 2.66 111.0 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.42 112.229 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -93.93 -19.29 21.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.036 0.384 . . . . 1.24 112.036 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 47.96 4.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.783 -0.722 . . . . 0.43 113.193 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -142.76 170.43 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.148 -0.316 . . . . 1.22 110.148 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -107.78 153.77 22.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.255 -0.43 . . . . 2.33 110.388 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 69.2 ttt180 -64.64 -20.31 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 3.67 111.179 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.06 -11.06 53.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.365 0.603 . . . . 3.2 110.472 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.56 48.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.67 111.325 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 6.0 p -60.38 -44.12 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.66 -0.245 . . . . 0.54 111.003 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.0 m -65.39 -32.63 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 1.63 110.687 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.03 -44.01 79.48 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.92 -0.657 . . . . 0.76 111.77 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.89 -39.75 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.71 110.556 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 97.5 mt -66.37 -38.5 87.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 1.14 110.508 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.49 -31.2 78.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 1.25 111.853 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.11 -39.32 75.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.205 0.526 . . . . 3.16 110.613 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 p -88.04 -166.98 1.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.863 -0.608 . . . . 2.02 111.393 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.98 -19.87 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.505 0.669 . . . . 2.64 109.88 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CG ' HD11 ' A' ' 25' ' ' LEU . 14.2 m-85 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.36 -0.837 . . . . 1.7 110.907 -170.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 108.391 -0.966 . . . . 1.96 108.391 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.4 tp -46.62 -54.68 9.01 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.802 0.667 . . . . 0.6 112.802 -170.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.85 78.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.389 -0.368 . . . . 0.63 111.966 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.93 -36.23 83.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.389 0.614 . . . . 2.3 110.154 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.74 -49.06 83.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.206 -0.906 . . . . 0.61 110.485 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.15 -36.07 83.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.83 111.052 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.49 -34.52 74.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.692 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.0 m -83.08 -9.91 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.844 -0.616 . . . . 1.5 111.098 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.446 . . . . 1.71 111.004 -177.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 121.113 0.482 . . . . 1.09 111.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.85 177.75 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.114 -0.494 . . . . 1.33 110.224 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.68 -45.94 77.69 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.862 0.319 . . . . 2.1 111.862 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -36.06 81.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.341 . . . . 1.58 111.034 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.02 -42.88 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 1.54 110.66 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 83.3 mt -68.84 -45.96 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.405 -0.816 . . . . 0.44 110.419 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.56 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.2 111.004 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.31 110.809 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.443 ' HA ' ' HB3' ' B' ' 28' ' ' ASN . 23.4 mt -70.19 -32.41 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.36 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 75.1 mt -62.53 -51.11 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.27 110.894 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.32 -25.82 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.23 110.501 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.443 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.8 t-20 -62.53 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.829 -0.623 . . . . 1.58 110.685 175.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' B' ' 33' ' ' ILE . 49.2 t80 -72.53 -46.87 52.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 1.25 110.809 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.426 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -63.63 -32.35 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 1.15 111.021 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -66.52 -42.47 87.25 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 0.99 110.688 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.1 mt -58.48 -49.77 81.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.117 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -73.98 -28.93 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.375 -0.375 . . . . 0.47 111.3 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.47 -48.27 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 2.22 111.103 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.48 2.96 55.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.836 0.351 . . . . 2.08 111.239 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp 57.19 54.79 6.47 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.558 -0.746 . . . . 2.6 110.65 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.72 -19.27 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.836 0.827 . . . . 2.11 108.98 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.506 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.0 tt -112.04 160.07 11.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.604 -1.18 . . . . 0.52 110.008 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -78.01 170.36 16.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.826 -0.17 . . . . 1.82 111.245 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -52.02 -52.96 47.34 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.545 0.572 . . . . 2.19 112.545 -174.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -60.71 -44.2 96.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 2.29 110.816 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.8 97.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.39 112.34 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.42 85.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.38 110.536 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.03 -37.64 88.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.919 -0.582 . . . . 1.84 110.569 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.509 ' O ' HG12 ' B' ' 49' ' ' VAL . 13.1 t -62.05 -45.19 94.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.619 -0.719 . . . . 0.98 110.01 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.69 -22.27 65.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 0.41 111.311 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.61 -43.55 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.607 -0.27 . . . . 0.48 111.093 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 46' ' ' SER . 10.9 p -70.4 -31.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.575 -0.528 . . . . 0.36 109.575 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -66.66 -34.67 78.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.814 -0.63 . . . . 0.37 110.474 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.427 ' CA ' ' HE3' ' B' ' 51' ' ' MET . 0.0 OUTLIER -60.34 -53.3 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.65 109.921 179.174 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.52 -39.1 92.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.516 -0.765 . . . . 1.99 110.545 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 t -55.2 -57.18 12.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.747 -0.66 . . . . 1.05 111.225 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.74 -37.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.33 110.535 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.4 m -60.3 -49.22 78.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.8 110.592 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.85 -47.66 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 2.66 111.03 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.2 98.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.41 112.17 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -93.73 -19.32 21.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.021 0.378 . . . . 1.24 112.021 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.4 47.87 5.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.845 -0.693 . . . . 0.42 113.201 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.53 170.55 15.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.042 -0.355 . . . . 1.23 110.042 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.02 153.7 22.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 2.33 110.451 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.412 ' O ' HG12 ' B' ' 65' ' ' VAL . 69.1 ttt180 -64.64 -20.29 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 3.67 111.107 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -86.23 -11.03 53.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.369 0.604 . . . . 3.19 110.251 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.46 48.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.125 -0.489 . . . . 0.66 111.299 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -60.51 -44.21 95.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.662 -0.244 . . . . 0.53 110.945 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 59.9 m -65.19 -32.8 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 1.63 110.592 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.86 -44.07 80.94 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.905 -0.664 . . . . 0.74 111.826 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.9 -39.74 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.7 110.585 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 97.5 mt -66.38 -38.52 87.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.13 110.492 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.45 -31.19 78.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 1.24 111.887 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.01 -39.45 75.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 3.15 110.583 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -87.97 -167.14 1.78 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.02 111.377 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.81 -19.82 57.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.541 0.686 . . . . 2.64 109.91 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.362 -0.835 . . . . 1.7 110.942 -170.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 108.376 -0.972 . . . . 1.95 108.376 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 59.6 tp -46.72 -54.65 9.24 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.832 0.678 . . . . 0.6 112.832 -170.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.98 78.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 0.63 111.96 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.81 -36.23 83.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 2.3 110.106 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 58.2 mt -63.79 -49.09 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.61 110.426 175.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.14 -36.12 83.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.83 110.958 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.47 -34.44 74.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.127 0.489 . . . . 1.83 110.604 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.2 m -83.26 -9.5 59.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 1.5 111.113 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.106 0.479 . . . . 1.7 110.921 -177.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.788 0.327 . . . . 1.09 110.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -76.41 158.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.32 110.281 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.7 -54.01 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 2.1 111.164 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.15 -36.83 80.84 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.916 -0.584 . . . . 1.57 111.662 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.06 -42.73 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.039 0.447 . . . . 1.54 111.009 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.2 mt -66.28 -48.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.748 -0.66 . . . . 0.44 110.229 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.41 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.2 110.657 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.98 76.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.096 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 74' ' ' PHE . 88.1 mt -66.55 -39.67 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.17 -0.468 . . . . 0.46 110.988 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.8 mt -62.61 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.27 111.321 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.38 -35.61 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.948 -0.301 . . . . 0.24 110.97 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.72 -31.44 68.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 1.59 110.369 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' A' ' 33' ' ' ILE . 34.5 t80 -66.29 -52.1 50.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.05 -0.352 . . . . 1.25 110.05 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -59.49 -38.17 80.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.916 0.388 . . . . 1.22 110.569 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -63.61 -42.26 98.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.598 . . . . 1.15 110.782 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 p -75.94 -20.93 57.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.679 0.276 . . . . 0.99 111.124 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 29' ' ' TYR . 55.1 mt -65.83 -54.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.052 0.453 . . . . 0.43 110.138 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 m -71.88 -20.72 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.919 -0.582 . . . . 0.47 110.881 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.815 -0.63 . . . . 2.22 111.037 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.63 16.7 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 2.08 111.684 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 55.4 68.38 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.223 -0.899 . . . . 2.6 111.39 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -106.34 5.66 29.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.649 -0.705 . . . . 2.12 109.99 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -137.3 159.81 35.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.073 -0.967 . . . . 0.51 110.047 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -66.6 152.79 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.394 . . . . 1.82 110.842 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -51.43 -47.83 62.88 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.737 0.303 . . . . 2.19 111.404 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.36 -46.7 83.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 2.3 110.725 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -66.41 -35.14 89.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.39 112.521 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.33 90.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.206 0.527 . . . . 0.38 110.219 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.15 -42.61 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.818 . . . . 1.84 110.463 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -60.64 -38.72 85.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.98 110.82 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.11 -27.47 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.41 111.557 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -67.37 -54.22 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.061 -0.256 . . . . 0.48 111.158 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.94 -35.9 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.967 0.413 . . . . 0.36 110.286 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.89 -42.94 99.67 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.37 110.736 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.9 ttm -63.7 -40.39 96.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.529 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.13 -38.19 87.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.629 -0.508 . . . . 1.99 109.629 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 68.1 m -72.06 -34.81 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.503 -0.771 . . . . 1.05 111.197 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 50' ' ' ALA . 56.3 mt -62.67 -48.46 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 109.426 -0.583 . . . . 0.34 109.426 174.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.678 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.2 m -61.97 -44.84 95.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.345 -0.843 . . . . 0.8 110.47 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.51 -37.19 82.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.579 -0.737 . . . . 2.66 110.816 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -66.75 -51.57 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 0.42 112.059 -176.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -85.51 -6.67 59.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.775 0.321 . . . . 1.24 111.671 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.14 42.38 19.47 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.996 -0.621 . . . . 0.43 112.898 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.4 p90 -139.29 -177.68 5.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.59 -0.522 . . . . 1.22 109.59 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.82 151.53 37.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.91 0.386 . . . . 2.33 110.84 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 65' ' ' VAL . 44.4 ttp180 -62.93 -23.17 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.549 -0.751 . . . . 3.67 110.347 177.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.44 -14.47 40.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 3.2 110.626 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.79 57.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.67 111.111 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.1 p -60.09 -33.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.54 110.841 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -64.94 -37.62 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.63 110.868 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -39.9 72.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.847 -0.692 . . . . 0.76 111.844 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.17 -52.17 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.71 110.527 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.73 -13.88 61.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 1.14 111.325 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.83 -30.68 72.51 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.696 -0.764 . . . . 1.25 111.857 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.93 -34.29 10.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 3.16 110.524 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -63.69 140.97 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.02 111.543 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.3 4.16 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 2.64 111.01 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.513 ' CG ' HD11 ' A' ' 25' ' ' LEU . 40.3 m-85 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.889 -0.596 . . . . 1.7 109.882 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.772 -0.455 . . . . 1.96 109.772 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.1 tp -55.42 -49.26 72.88 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.9 0.333 . . . . 0.6 111.9 -175.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.73 76.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.06 0.393 . . . . 0.63 112.06 -174.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.77 -39.2 93.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.421 0.629 . . . . 2.3 109.949 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 92.2 mt -60.09 -49.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.062 -0.972 . . . . 0.61 110.521 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.04 -35.09 79.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.71 -0.677 . . . . 0.83 110.77 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.88 -36.33 74.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.179 0.514 . . . . 1.83 110.204 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -78.52 -10.22 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 1.5 111.054 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.055 0.455 . . . . 1.71 110.93 -178.538 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 120.751 0.31 . . . . 1.09 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -76.62 158.5 31.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.207 -0.452 . . . . 1.33 110.379 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.49 -54.04 37.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 2.1 111.123 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.17 -36.79 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 1.58 111.705 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 -42.72 84.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 1.54 111.01 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 63.1 mt -66.21 -48.15 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.635 . . . . 0.44 110.244 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.31 76.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.85 -0.613 . . . . 0.2 110.688 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.0 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.684 . . . . 0.31 111.031 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' B' ' 74' ' ' PHE . 88.6 mt -66.54 -39.64 88.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.126 -0.488 . . . . 0.46 111.068 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.3 mt -62.54 -50.99 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.27 111.374 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.32 -35.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.955 -0.298 . . . . 0.23 110.96 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -70.84 -31.41 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.751 0.31 . . . . 1.58 110.288 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' B' ' 33' ' ' ILE . 34.7 t80 -66.17 -52.26 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.016 -0.364 . . . . 1.25 110.016 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -59.37 -38.2 79.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.954 0.407 . . . . 1.22 110.642 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -63.49 -42.41 98.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 1.15 110.832 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.7 p -75.89 -20.85 57.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.667 0.27 . . . . 0.99 111.148 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.0 mt -65.67 -54.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.44 110.221 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.5 m -71.85 -20.69 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.47 110.935 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.41 -49.21 74.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.73 -0.668 . . . . 2.22 111.019 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.57 16.43 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 2.08 111.631 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 55.5 68.46 0.86 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.247 -0.888 . . . . 2.6 111.355 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.42 5.58 29.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 2.11 109.883 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.9 tt -137.32 159.59 35.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.161 -0.927 . . . . 0.52 109.987 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -66.35 152.86 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.371 . . . . 1.82 110.779 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.38 -47.91 62.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.746 0.308 . . . . 2.19 111.406 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.3 -46.89 82.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.895 -0.593 . . . . 2.29 110.685 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -66.26 -35.25 90.07 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.784 -0.643 . . . . 0.39 112.576 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.5 90.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.31 0.576 . . . . 0.38 110.257 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.05 -42.87 84.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.31 -0.859 . . . . 1.84 110.383 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.7 m -60.5 -38.67 85.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.835 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.1 -27.69 69.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.395 -0.366 . . . . 0.41 111.541 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.96 -54.33 22.93 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.029 -0.268 . . . . 0.48 111.227 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.98 -35.9 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.922 0.391 . . . . 0.36 110.248 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.655 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.85 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.37 110.641 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 13.0 ttm -63.71 -40.27 96.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.65 111.562 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.3 -38.02 87.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 68.0 m -72.08 -34.8 68.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.561 -0.745 . . . . 1.05 111.196 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.655 HG13 ' O ' ' B' ' 50' ' ' ALA . 56.2 mt -62.63 -48.46 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.44 -0.578 . . . . 0.33 109.44 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.672 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.1 m -62.06 -44.67 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.53 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.54 -37.24 83.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.523 -0.762 . . . . 2.66 110.813 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -66.81 -51.53 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.869 -0.605 . . . . 0.41 112.006 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -85.24 -7.28 59.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.843 0.354 . . . . 1.24 111.534 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.63 42.18 18.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.015 -0.612 . . . . 0.42 112.815 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.672 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.4 p90 -139.22 -177.86 5.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.23 109.601 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.66 151.31 38.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.867 0.365 . . . . 2.33 110.738 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.457 ' O ' HG12 ' B' ' 65' ' ' VAL . 44.6 ttp180 -62.68 -23.52 67.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.582 -0.735 . . . . 3.67 110.386 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.82 -14.83 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.156 -0.474 . . . . 3.19 110.733 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.77 -3.79 57.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.66 111.037 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.1 p -60.12 -33.73 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.53 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -65.03 -37.41 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 1.63 110.979 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.19 -39.88 71.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.919 -0.658 . . . . 0.74 111.867 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.18 -52.51 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.889 0.376 . . . . 0.7 110.412 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.38 -13.97 61.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.13 111.43 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.63 -30.95 72.95 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.72 -0.752 . . . . 1.24 111.733 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.94 -34.18 10.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.949 0.404 . . . . 3.15 110.472 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -63.73 140.98 58.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.509 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -76.28 4.22 9.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 2.64 111.06 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CG ' HD11 ' B' ' 25' ' ' LEU . 40.3 m-85 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.83 -0.623 . . . . 1.7 109.875 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.819 -0.438 . . . . 1.95 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 57.1 tp -55.19 -49.23 72.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.782 0.325 . . . . 0.6 111.797 -175.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.63 112.082 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.84 -39.26 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.384 0.612 . . . . 2.3 109.946 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 92.0 mt -59.99 -49.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.072 -0.967 . . . . 0.61 110.525 175.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.88 -34.92 78.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 0.83 110.854 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.05 -36.22 74.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 1.83 110.27 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -78.99 -9.52 59.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 1.5 110.915 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 1.7 110.978 -178.704 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 N-CA-C 112.024 0.379 . . . . 1.09 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.84 166.34 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.32 109.671 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -51.07 -50.19 59.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.726 0.269 . . . . 2.1 111.726 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.48 -36.35 82.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.57 111.609 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.84 -41.09 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 1.54 110.466 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.8 mt -65.3 -50.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 0.44 110.758 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -32.58 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.2 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.85 86.88 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.777 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 mt -69.8 -35.24 74.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.515 -0.311 . . . . 0.46 110.986 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -60.56 -53.74 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.186 -0.461 . . . . 0.27 111.149 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.83 -31.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.24 110.643 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.99 -41.3 91.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 1.59 110.346 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.2 t80 -60.37 -48.31 82.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.529 . . . . 1.25 110.463 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.1 m-85 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.483 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 49.6 m -63.84 -35.81 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 1.15 110.62 177.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 39.0 t -63.12 -41.81 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.99 110.717 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 37.8 mt -63.85 -44.18 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.43 111.002 -177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.92 -21.13 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.47 111.009 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' SER . 11.6 tp10 -69.47 -44.94 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.316 -0.402 . . . . 2.22 110.317 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' SER . 60.3 pttt -86.94 1.94 50.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.399 0.619 . . . . 2.08 110.725 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttm 54.49 52.35 12.51 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.66 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.54 -35.31 12.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.301 -0.629 . . . . 2.12 109.301 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -83.8 151.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.51 110.399 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -76.45 163.26 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 1.82 111.397 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -50.71 58.21 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.606 0.595 . . . . 2.19 112.606 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.88 -41.32 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 2.3 110.767 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.74 95.57 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.854 -0.689 . . . . 0.39 111.96 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.1 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.747 0.308 . . . . 0.38 110.868 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.61 -39.04 93.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 1.84 110.713 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -61.64 -40.38 94.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.956 -0.565 . . . . 0.98 110.465 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.8 -31.46 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -63.68 -58.5 6.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.292 . . . . 0.48 110.724 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.43 -35.38 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.924 0.392 . . . . 0.36 110.568 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.83 -40.26 96.87 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.584 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 8.0 ttm -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.03 -0.532 . . . . 0.65 111.545 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.86 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.109 0.481 . . . . 1.99 110.176 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.2 m -70.84 -45.26 64.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 1.05 110.858 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.5 mt -57.02 -53.51 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.207 0.527 . . . . 0.34 110.278 177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -59.44 -48.26 82.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.399 -0.819 . . . . 0.8 111.191 -176.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -69.79 -29.26 66.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 2.66 111.069 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.99 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.42 111.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 44.5 m-85 -87.52 -28.77 21.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.426 . . . . 1.24 111.256 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.67 39.52 2.19 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.541 -0.837 . . . . 0.43 113.024 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' SER . 46.5 p90 -140.41 165.95 26.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.741 -0.466 . . . . 1.22 109.741 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.73 151.09 21.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.653 -0.249 . . . . 2.33 110.706 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.595 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.6 mtm180 -57.35 -44.79 84.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.391 0.615 . . . . 3.67 109.787 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -75.8 4.38 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.478 -0.783 . . . . 3.2 111.259 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -112.33 -1.58 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.602 -0.272 . . . . 0.67 111.605 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -65.0 -33.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 0.54 110.97 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.58 -40.21 93.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.232 -0.44 . . . . 1.63 110.824 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.88 -38.13 84.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.952 -0.642 . . . . 0.76 112.0 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 64' ' ' ALA . 64.9 mt -61.61 -52.33 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.337 . . . . 0.71 110.458 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.0 -34.16 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.585 . . . . 1.14 111.272 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.32 -34.55 88.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.951 -0.642 . . . . 1.25 112.32 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.09 -46.5 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 3.16 110.431 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.6 t -63.63 167.23 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.634 . . . . 2.02 110.912 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.38 12.49 10.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 2.64 110.981 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 121.292 0.568 . . . . 1.7 110.456 177.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.256 -0.275 . . . . 1.96 110.256 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.2 -55.52 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.6 111.478 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.3 88.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.63 111.687 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.46 -41.34 97.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 2.3 110.412 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' B' ' 86' ' ' ALA . 32.6 mt -58.55 -50.75 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.763 . . . . 0.61 111.151 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.98 -38.78 89.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.83 111.011 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.68 -40.09 92.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.234 -0.439 . . . . 1.83 110.804 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -70.51 -38.31 74.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 1.5 110.775 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.528 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.304 -0.407 . . . . 1.71 111.567 -176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.951 0.405 . . . . 1.09 112.054 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.91 166.23 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 1.33 109.65 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -50.94 -50.26 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.692 0.256 . . . . 2.1 111.692 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.57 -36.17 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.58 111.612 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.99 -41.03 74.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.261 0.553 . . . . 1.54 110.558 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 64.1 mt -65.31 -50.86 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.446 -0.797 . . . . 0.44 110.713 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.64 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 0.2 110.886 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.92 86.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.687 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 mt -69.68 -35.17 74.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.46 111.023 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 73.5 mt -60.62 -53.76 44.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.27 111.065 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.8 -31.74 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.23 110.609 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.05 -41.07 91.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.363 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.417 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.5 t80 -60.58 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 1.25 110.615 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.42 -38.76 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 1.22 110.486 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 50.3 m -63.86 -35.72 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 1.15 110.553 177.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 39.7 t -63.12 -42.03 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.99 110.734 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 37.5 mt -63.69 -44.13 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.44 111.076 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.08 -20.95 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.05 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 31' ' ' SER . 11.5 tp10 -69.51 -44.78 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.089 0.471 . . . . 2.22 110.352 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 32' ' ' SER . 60.2 pttt -87.14 1.88 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.264 0.554 . . . . 2.08 110.693 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 54.62 52.33 12.42 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.583 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -94.48 -35.22 12.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.352 -0.61 . . . . 2.11 109.352 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -83.85 151.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.729 . . . . 0.52 110.221 -177.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -76.43 163.18 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.253 -0.431 . . . . 1.82 111.335 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.11 -50.82 58.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.48 0.548 . . . . 2.19 112.48 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -60.63 -41.33 94.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 2.29 110.77 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.68 95.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.78 -0.724 . . . . 0.39 112.051 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.19 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.278 . . . . 0.38 110.75 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.54 -39.18 93.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.43 . . . . 1.84 110.687 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -61.56 -40.36 94.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.613 . . . . 0.98 110.452 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.83 -31.3 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.41 111.237 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.64 -58.53 6.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 0.48 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -35.37 69.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.93 0.395 . . . . 0.36 110.565 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.639 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -62.76 -40.21 96.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.37 110.63 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.422 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 8.0 ttm -64.6 -42.43 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.121 -0.49 . . . . 0.65 111.587 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -35.96 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.176 0.512 . . . . 1.99 110.23 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.88 -45.44 64.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.703 -0.68 . . . . 1.05 110.882 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.639 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.3 mt -57.01 -53.62 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.186 0.517 . . . . 0.33 110.218 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -59.32 -48.24 82.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.416 -0.811 . . . . 0.8 111.194 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.03 -28.99 65.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 2.66 111.089 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.68 83.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.92 0.391 . . . . 0.41 111.264 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 44.4 m-85 -87.49 -29.26 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 1.24 111.299 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.13 39.13 2.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.599 -0.81 . . . . 0.42 113.018 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' B' ' 55' ' ' SER . 46.6 p90 -140.01 166.1 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.705 -0.48 . . . . 1.23 109.705 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.79 151.24 21.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.674 -0.239 . . . . 2.33 110.828 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 65' ' ' VAL . 22.7 mtm180 -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.345 0.593 . . . . 3.67 109.871 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -75.82 4.53 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.484 -0.78 . . . . 3.19 111.207 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -112.39 -1.63 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.556 -0.293 . . . . 0.66 111.49 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.591 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -64.86 -33.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.53 111.02 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.64 -40.01 93.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.211 -0.45 . . . . 1.63 110.925 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.17 -37.9 82.15 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.977 -0.63 . . . . 0.74 112.031 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 64' ' ' ALA . 65.0 mt -61.73 -52.38 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.7 110.472 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.85 -34.04 77.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 1.13 111.352 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.58 -34.31 87.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.946 -0.645 . . . . 1.24 112.329 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.23 -46.54 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 3.15 110.421 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -63.64 167.27 5.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 2.02 110.853 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.25 12.33 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.915 -0.584 . . . . 2.64 111.002 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 1.7 110.437 178.037 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 34.7 m170 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 110.204 -0.295 . . . . 1.95 110.204 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.01 -55.69 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.794 0.33 . . . . 0.6 111.461 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.07 87.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.566 . . . . 0.63 111.848 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.68 -41.32 97.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.126 -0.488 . . . . 2.3 110.415 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 86' ' ' ALA . 32.5 mt -58.36 -50.89 77.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.518 -0.765 . . . . 0.61 111.127 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.92 -38.61 89.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.83 111.033 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -65.92 -39.87 90.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.169 -0.469 . . . . 1.83 110.727 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -70.61 -38.39 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.008 -0.542 . . . . 1.5 110.697 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.559 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.285 0.564 . . . . 1.09 110.536 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -72.77 162.64 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.681 -0.69 . . . . 1.32 110.342 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -53.6 -46.62 70.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 2.1 110.045 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 8.7 pt-20 -54.52 -45.1 73.27 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.401 -0.818 . . . . 1.57 111.731 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 55.5 mt-10 -70.09 -44.46 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.54 111.049 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.3 mt -64.25 -49.8 79.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.979 -0.555 . . . . 0.44 110.448 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.29 86.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.2 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.48 88.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.31 110.905 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.85 -39.06 87.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.258 -0.428 . . . . 0.46 110.691 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.5 mt -63.03 -51.38 72.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.27 111.294 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 32.1 m -67.93 -35.89 73.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.24 111.08 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -69.05 -32.45 71.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 1.59 109.988 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 33' ' ' ILE . 50.2 t80 -64.47 -52.27 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 1.25 110.388 174.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -60.31 -40.93 92.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 1.22 110.905 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -64.5 -34.5 78.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.127 -0.488 . . . . 1.15 110.5 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 8.6 t -72.7 -24.76 61.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.599 -0.273 . . . . 0.99 110.414 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 29' ' ' TYR . 59.4 mt -64.52 -52.58 53.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.716 0.294 . . . . 0.43 110.564 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.47 -29.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.47 110.088 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 32' ' ' SER . 31.7 tt0 -54.53 -54.92 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.189 -0.914 . . . . 2.22 111.224 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -95.86 18.28 13.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 2.08 111.584 -176.499 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 54.46 51.57 13.9 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.201 -0.908 . . . . 2.6 111.525 174.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -99.79 -2.33 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.219 0.533 . . . . 2.12 110.542 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.3 tt -133.17 151.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.497 -0.774 . . . . 0.51 110.037 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.58 176.34 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.514 -0.312 . . . . 1.82 110.781 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -52.66 -50.06 63.97 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.631 0.582 . . . . 2.19 112.433 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.72 -48.48 77.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 2.3 111.138 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -69.73 -35.94 74.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.725 -0.75 . . . . 0.39 112.392 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.36 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.619 0.247 . . . . 0.38 111.151 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -66.22 -31.13 71.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 1.84 110.726 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.98 109.881 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.3 mt -71.21 -23.13 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.41 111.183 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -70.17 -49.76 47.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.736 -0.211 . . . . 0.48 111.009 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.96 -39.1 84.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 110.084 -0.339 . . . . 0.36 110.084 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.35 -37.29 86.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.37 110.674 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.3 tpp -53.2 -50.34 64.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.871 -0.604 . . . . 0.65 111.426 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.88 -38.83 92.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.367 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.42 -41.29 80.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.168 -0.469 . . . . 1.05 111.629 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 50' ' ' ALA . 59.8 mt -60.28 -47.44 92.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.276 0.56 . . . . 0.34 109.73 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.8 m -62.42 -45.74 91.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.476 -0.784 . . . . 0.8 110.519 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.95 -43.44 98.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 2.66 111.311 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -59.46 -44.88 92.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.906 -0.588 . . . . 0.42 111.896 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -83.98 -27.26 28.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.024 0.44 . . . . 1.24 111.378 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.88 4.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.56 -0.828 . . . . 0.43 113.115 175.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' O ' ' HB3' ' A' ' 55' ' ' SER . 47.5 p90 -131.19 162.61 29.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.756 -0.461 . . . . 1.22 109.756 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.7 23.92 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.749 -0.463 . . . . 2.33 109.749 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 41.1 ttp180 -62.2 -26.98 68.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.895 -0.593 . . . . 3.67 110.808 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.49 -4.82 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 3.2 110.876 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.19 -8.0 46.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 0.67 111.098 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.0 p -61.24 -33.73 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.502 -0.317 . . . . 0.54 110.442 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.76 -34.92 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 1.63 110.168 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.08 46.93 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.824 -0.703 . . . . 0.76 111.669 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.82 -48.02 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.71 110.561 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.67 4.37 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.344 -0.389 . . . . 1.14 111.32 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.06 14.71 8.94 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.33 -0.708 . . . . 1.25 111.33 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.27 -49.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 3.16 110.249 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 21' ' ' GLU . 16.2 m -77.9 171.97 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 2.02 110.168 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.42 -23.62 60.16 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.711 1.004 . . . . 2.64 113.711 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 1.7 112.066 -174.821 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.293 -0.632 . . . . 1.96 109.293 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.6 tp -56.27 -43.93 79.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.6 110.52 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.9 82.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.859 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.24 -42.24 81.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.289 0.566 . . . . 2.3 109.966 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 69.6 mt -58.29 -49.19 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.61 110.553 176.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.48 -29.99 70.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.894 -0.594 . . . . 0.83 111.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -60.0 -43.27 95.3 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.971 0.415 . . . . 1.83 110.595 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 p -86.26 -24.73 25.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.812 -0.631 . . . . 1.5 111.625 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.218 0.532 . . . . 1.71 111.416 -176.75 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.387 0.613 . . . . 1.09 110.658 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -72.42 162.74 29.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.381 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.8 -46.63 71.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.45 . . . . 2.1 110.022 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 8.8 pt-20 -54.43 -45.25 72.98 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.228 -0.896 . . . . 1.58 111.678 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.0 mt-10 -69.87 -44.6 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.54 111.107 -174.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.514 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.3 mt -64.25 -49.83 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.942 -0.572 . . . . 0.44 110.428 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.18 85.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.2 110.9 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.51 88.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.31 110.893 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.91 -38.99 87.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.46 110.693 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 22' ' ' ILE . 77.3 mt -63.11 -51.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.27 111.361 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 31.6 m -68.04 -35.87 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.015 -0.274 . . . . 0.23 110.979 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.98 -32.56 72.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 1.58 109.987 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.488 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.8 t80 -64.47 -52.22 59.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.938 -0.574 . . . . 1.25 110.422 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.21 -41.11 92.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 1.22 110.816 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.061 -0.518 . . . . 1.15 110.474 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 8.7 t -72.87 -24.71 60.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.61 -0.268 . . . . 0.99 110.447 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 29' ' ' TYR . 59.0 mt -64.43 -52.53 54.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.44 110.566 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.54 -29.71 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.247 0.546 . . . . 0.47 110.111 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' B' ' 32' ' ' SER . 31.4 tt0 -54.52 -54.8 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.164 -0.925 . . . . 2.22 111.214 176.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.1 OUTLIER -95.91 18.26 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 2.08 111.603 -176.561 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.0 tptt 54.41 51.55 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.175 -0.921 . . . . 2.6 111.498 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 16.3 mm-40 -99.89 -2.09 35.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.547 . . . . 2.11 110.51 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.4 tt -133.26 151.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.543 -0.753 . . . . 0.52 109.881 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.77 176.16 7.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.353 -0.385 . . . . 1.82 110.767 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.48 -50.08 63.41 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.581 0.586 . . . . 2.19 112.581 -172.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.77 -48.5 77.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.904 0.383 . . . . 2.29 111.057 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -69.71 -36.02 74.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.612 -0.804 . . . . 0.39 112.403 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.09 70.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.533 0.206 . . . . 0.38 111.115 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -66.31 -31.45 72.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.937 0.398 . . . . 1.84 110.661 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -65.57 -38.82 90.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.98 110.007 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.09 -23.17 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.41 111.177 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.11 -49.89 46.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.728 -0.215 . . . . 0.48 111.015 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.82 -38.92 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.81 -0.356 . . . . 0.36 110.167 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.583 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.63 -37.23 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.37 110.69 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.467 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -53.22 -50.22 65.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.987 -0.552 . . . . 0.65 111.477 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.79 -38.91 92.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 1.99 110.542 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 81.6 m -68.38 -41.14 80.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 1.05 111.675 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 50' ' ' ALA . 59.4 mt -60.32 -47.47 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.226 0.536 . . . . 0.33 109.784 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.6 m -62.34 -45.99 90.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.8 110.521 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.77 -43.57 97.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 2.66 111.262 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.41 111.773 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -83.95 -27.1 28.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 1.24 111.402 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.73 36.33 4.31 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.72 -0.752 . . . . 0.42 113.083 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' B' ' 55' ' ' SER . 47.1 p90 -131.54 162.57 29.97 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.895 -0.409 . . . . 1.23 109.895 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.6 23.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.145 -0.479 . . . . 2.33 109.821 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.459 ' O ' HG12 ' B' ' 65' ' ' VAL . 41.0 ttp180 -62.09 -27.0 68.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 3.67 110.866 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.47 -4.87 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.366 . . . . 3.19 110.868 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.14 -7.81 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.66 111.025 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.0 p -61.37 -33.79 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.53 110.461 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -63.79 -34.69 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.63 110.171 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.84 -42.11 46.9 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.87 -0.681 . . . . 0.74 111.745 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.86 -47.86 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.7 110.514 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.97 4.65 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 1.13 111.246 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.51 15.23 8.62 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.289 -0.724 . . . . 1.24 111.289 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.5 -49.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.953 0.406 . . . . 3.15 110.271 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 16.2 m -77.85 172.04 14.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.615 . . . . 2.02 110.094 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.52 -23.58 60.03 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.782 1.03 . . . . 2.64 113.782 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 121.272 0.558 . . . . 1.7 111.987 -174.801 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.436 -0.579 . . . . 1.95 109.436 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.2 -43.91 78.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.439 . . . . 0.6 110.644 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.03 82.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.63 111.778 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -57.15 -42.19 80.58 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.372 0.606 . . . . 2.3 109.969 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.24 -49.29 82.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.214 -0.903 . . . . 0.61 110.568 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.6 -29.95 70.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.59 . . . . 0.83 111.26 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.95 -43.34 95.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.048 0.451 . . . . 1.83 110.605 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.4 p -86.36 -24.47 25.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 1.5 111.572 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.181 0.515 . . . . 1.7 111.319 -176.749 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.127 0.489 . . . . 1.09 110.476 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.41 151.57 30.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.896 -0.593 . . . . 1.32 109.449 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 18.9 pttm -53.01 -42.9 66.09 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.945 0.339 . . . . 2.1 111.74 -175.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.52 -39.22 83.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.796 0.331 . . . . 1.57 111.674 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 41.1 mt-10 -70.46 -38.1 74.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.458 0.647 . . . . 1.54 110.36 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.6 mt -68.52 -47.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.201 -0.908 . . . . 0.44 110.571 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.65 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.2 110.701 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -56.12 -51.07 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.31 110.826 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.56 -35.52 77.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.613 0.244 . . . . 0.46 110.992 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.4 mt -60.15 -54.07 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.251 -0.431 . . . . 0.27 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.38 -30.12 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.24 110.907 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.76 -44.35 93.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.59 110.064 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CE2' HD11 ' A' ' 33' ' ' ILE . 52.5 t80 -60.98 -49.04 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.25 110.957 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CB ' ' HE1' ' A' ' 51' ' ' MET . 21.2 m-85 -57.74 -43.91 85.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 1.22 110.606 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 m -66.64 -28.72 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.938 -0.573 . . . . 1.15 110.715 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 t -73.6 -32.87 64.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.99 110.462 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 29' ' ' TYR . 53.2 mt -65.33 -43.46 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.43 110.424 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.75 -19.76 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.47 110.767 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.64 -45.49 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.22 110.066 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -93.01 -9.54 39.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.396 0.617 . . . . 2.08 110.649 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.44 58.71 3.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.573 -1.194 . . . . 2.6 111.16 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -89.91 -30.02 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.837 -0.801 . . . . 2.12 108.837 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 tt -87.27 155.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.157 -0.929 . . . . 0.51 110.637 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.26 146.76 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.82 110.176 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.76 -27.67 69.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.386 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -44.04 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.029 0.442 . . . . 2.3 110.264 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -69.77 -33.77 71.43 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.39 112.02 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -37.66 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.967 0.413 . . . . 0.38 110.293 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.93 -42.86 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.305 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -29.45 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.908 0.385 . . . . 0.98 110.639 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 72.5 mt -70.29 -27.54 64.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.481 -0.327 . . . . 0.41 110.492 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.31 -54.9 29.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.618 -0.264 . . . . 0.48 110.828 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.7 -37.12 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.981 0.419 . . . . 0.36 110.252 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.69 -34.42 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.37 110.987 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.555 ' HE1' ' CB ' ' A' ' 30' ' ' PHE . 12.4 tpp -58.21 -52.29 66.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.65 111.082 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.76 -31.64 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 1.99 110.85 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.8 m -62.89 -48.22 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 1.05 110.568 175.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.6 mt -59.61 -45.3 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.223 0.535 . . . . 0.34 110.077 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 22.0 m -61.31 -48.55 80.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.412 -0.813 . . . . 0.8 111.219 -178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -65.41 -40.9 93.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 2.66 110.841 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.74 84.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 0.42 111.588 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 19' ' ' LYS . 26.5 m-85 -85.35 -17.65 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.222 -0.445 . . . . 1.24 111.375 -177.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.04 43.98 6.15 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.073 -0.584 . . . . 0.43 113.217 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.1 p90 -140.25 159.53 41.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 1.22 110.223 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.66 148.22 22.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.017 -0.538 . . . . 2.33 110.616 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -64.45 -18.5 64.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 3.67 111.488 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -96.66 -1.94 45.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.284 -0.417 . . . . 3.2 110.75 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.47 -0.19 30.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.79 -35.63 65.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.945 -0.57 . . . . 0.54 110.86 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 p -64.63 -36.05 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 1.63 110.751 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.12 -38.09 82.91 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.934 -0.651 . . . . 0.76 111.856 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.21 -41.19 88.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.019 0.438 . . . . 0.71 110.277 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.84 -1.27 16.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 1.14 110.997 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.78 -2.85 46.32 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.96 -0.638 . . . . 1.25 111.736 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -81.25 -45.17 16.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 3.16 110.346 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.3 m -125.43 -154.87 0.64 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.607 -0.724 . . . . 2.02 110.045 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.99 -112.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.123 0.264 . . . . 2.64 110.685 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.147 0.499 . . . . 1.7 110.934 178.049 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.0 m80 . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 109.257 -0.646 . . . . 1.96 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.2 tp -54.46 -47.94 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.844 0.354 . . . . 0.6 110.641 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.96 95.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.63 111.678 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.9 -42.02 88.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.348 0.594 . . . . 2.3 109.935 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' B' ' 86' ' ' ALA . 50.9 mt -63.45 -49.41 82.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.129 -0.942 . . . . 0.61 111.437 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 79' ' ' LEU . 8.4 mp -62.99 -40.9 99.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.83 112.123 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 17' ' ' ALA . 56.0 t30 -70.55 -44.34 67.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.806 0.336 . . . . 1.83 111.48 -176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.6 p -71.37 -6.46 40.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.506 0.558 . . . . 1.5 112.506 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' B' ' 82' ' ' ILE . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 113.246 0.832 . . . . 1.71 113.246 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 84' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 1.09 110.377 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.63 151.53 30.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.883 -0.599 . . . . 1.33 109.53 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 58' ' ' PHE . 18.9 pttm -53.0 -42.78 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.875 0.307 . . . . 2.1 111.788 -175.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.55 -39.3 83.55 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.693 0.282 . . . . 1.58 111.667 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 41.2 mt-10 -70.35 -38.36 74.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 1.54 110.432 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.468 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.4 mt -68.19 -47.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.44 110.542 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.75 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.2 110.675 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -56.11 -51.18 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.31 110.825 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.35 -35.58 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.978 -0.289 . . . . 0.46 111.064 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.4 mt -60.08 -54.06 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.27 111.056 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.23 -30.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.707 0.289 . . . . 0.23 110.903 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.74 -44.29 93.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.58 110.057 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' B' ' 33' ' ' ILE . 52.3 t80 -61.04 -49.11 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 1.25 110.853 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.553 ' CB ' ' HE1' ' B' ' 51' ' ' MET . 21.2 m-85 -57.71 -43.84 85.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 1.22 110.666 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.5 m -66.72 -28.68 68.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.873 -0.603 . . . . 1.15 110.625 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -73.65 -32.93 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.852 0.358 . . . . 0.99 110.486 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' B' ' 29' ' ' TYR . 53.1 mt -65.2 -43.54 95.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 0.44 110.385 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.67 -19.69 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.47 110.813 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.69 -45.68 88.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.12 0.486 . . . . 2.22 110.003 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -92.97 -9.26 40.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.45 0.643 . . . . 2.08 110.764 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.33 58.58 3.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.559 -1.201 . . . . 2.6 111.177 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.9 -29.93 18.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.868 -0.79 . . . . 2.11 108.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.2 tt -87.39 155.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.083 -0.962 . . . . 0.52 110.647 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.24 146.62 50.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.848 -0.614 . . . . 1.82 110.174 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.72 -27.63 69.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.407 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.4 -44.13 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.438 . . . . 2.29 110.187 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.459 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -69.82 -33.69 71.08 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.604 -0.726 . . . . 0.39 112.039 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.64 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.423 . . . . 0.38 110.264 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.82 -42.86 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.647 -0.706 . . . . 1.84 111.398 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -29.36 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.87 0.366 . . . . 0.98 110.65 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 72.7 mt -70.2 -27.63 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.501 -0.318 . . . . 0.41 110.623 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.19 -55.08 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.586 -0.279 . . . . 0.48 110.87 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.49 -37.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.946 0.403 . . . . 0.36 110.348 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.508 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.78 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.908 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.553 ' HE1' ' CB ' ' B' ' 30' ' ' PHE . 12.5 tpp -58.26 -52.46 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.65 110.931 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.61 -31.68 71.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.871 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 83.4 m -62.9 -48.13 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.533 -0.303 . . . . 1.05 110.489 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.6 mt -59.63 -45.41 94.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.305 0.574 . . . . 0.33 110.094 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 22.0 m -61.24 -48.55 80.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.439 -0.8 . . . . 0.8 111.274 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -65.46 -40.78 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 2.66 110.847 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.98 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.41 111.631 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' B' ' 19' ' ' LYS . 26.9 m-85 -85.21 -17.56 36.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.441 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 44.24 6.11 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.967 -0.635 . . . . 0.42 113.241 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.0 p90 -140.6 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.94 0.37 . . . . 1.23 110.274 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -92.39 148.15 22.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.146 -0.479 . . . . 2.33 110.584 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -64.45 -18.23 64.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.689 -0.687 . . . . 3.67 111.431 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.86 -1.95 44.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.062 0.458 . . . . 3.19 110.699 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 -0.33 30.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.66 110.989 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.62 -35.62 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.866 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -64.68 -35.86 82.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 1.63 110.837 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.26 -38.02 81.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.018 -0.61 . . . . 0.74 111.936 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.26 -41.24 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.7 110.296 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.76 -1.49 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 1.13 111.03 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.7 -2.94 46.61 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.934 -0.651 . . . . 1.24 111.715 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -81.14 -45.25 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 3.15 110.374 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.1 m -125.48 -155.01 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.681 -0.69 . . . . 2.02 109.985 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.76 -112.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.544 0.211 . . . . 2.64 110.676 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.234 0.54 . . . . 1.7 110.964 178.017 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m80 . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 109.23 -0.655 . . . . 1.95 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -54.61 -47.92 72.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.724 0.297 . . . . 0.6 110.634 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.06 96.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.385 -0.371 . . . . 0.63 111.638 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -58.86 -42.0 88.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.346 0.594 . . . . 2.3 109.95 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' ALA . 50.7 mt -63.45 -49.37 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.153 -0.93 . . . . 0.61 111.493 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 79' ' ' LEU . 8.4 mp -63.09 -40.79 98.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.949 -0.569 . . . . 0.83 112.134 -176.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ASN . . . . . 0.469 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 56.3 t30 -70.67 -44.14 67.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.587 -0.278 . . . . 1.83 111.384 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -72.78 -3.68 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.438 0.533 . . . . 1.5 112.438 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 113.083 0.771 . . . . 1.7 113.083 -174.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.567 -0.531 . . . . 1.09 109.567 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -76.29 165.29 25.08 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.107 -0.331 . . . . 1.32 110.107 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -50.72 -54.3 24.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.782 0.325 . . . . 2.1 111.418 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.0 pt-20 -58.13 -35.06 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 1.57 111.595 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 56.1 mt-10 -76.81 -36.63 56.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.566 . . . . 1.54 110.745 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 90.9 mt -65.03 -49.66 78.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.44 109.743 174.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.71 76.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.2 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.52 -43.83 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.692 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 74' ' ' PHE . 42.5 mt -70.65 -34.67 72.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.448 -0.342 . . . . 0.46 111.119 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -61.66 -51.08 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.27 110.641 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.8 m -71.61 -29.18 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.24 110.647 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -62.0 -43.61 98.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.307 -0.406 . . . . 1.59 110.483 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' A' ' 33' ' ' ILE . 29.4 t80 -58.62 -51.43 69.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 1.25 110.357 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 23.2 m-85 -61.04 -42.24 98.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 1.22 110.735 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -60.59 -41.85 95.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.15 110.496 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -65.43 -39.58 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.99 110.429 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.1 mt -58.4 -50.89 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.43 110.951 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.89 -24.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.427 -0.352 . . . . 0.47 111.144 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.55 -44.82 93.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 2.22 111.027 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -100.16 9.78 42.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 2.08 111.146 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.74 61.52 3.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.005 -0.998 . . . . 2.6 110.613 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.83 -9.62 36.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.265 -0.88 . . . . 2.12 109.28 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 15.4 tt -120.75 160.02 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.846 -1.07 . . . . 0.51 109.849 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -70.77 155.57 40.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 1.82 110.222 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.39 -43.89 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.864 0.32 . . . . 2.19 111.864 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.38 -34.84 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 2.3 110.753 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -74.18 -36.05 51.78 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.98 -0.629 . . . . 0.39 111.746 178.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.59 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.157 0.504 . . . . 0.38 109.98 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.43 -45.59 83.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.345 -0.843 . . . . 1.84 111.107 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.3 -30.41 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.98 110.835 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 66.7 mt -70.61 -19.84 62.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.499 -0.318 . . . . 0.41 111.206 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.84 -49.6 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.452 0.168 . . . . 0.48 110.703 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.5 -31.2 52.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.099 0.476 . . . . 0.36 109.971 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -66.73 -42.76 85.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.37 110.346 174.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.5 tpp -50.67 -48.67 58.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.718 -0.674 . . . . 0.65 111.479 -176.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.25 -50.03 69.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.632 -0.713 . . . . 1.99 111.654 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 50' ' ' ALA . 6.2 p -71.3 -36.29 71.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 50' ' ' ALA . 86.1 mt -59.55 -51.58 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.4 0.619 . . . . 0.34 109.859 175.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -63.41 -41.38 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.208 -0.905 . . . . 0.8 110.408 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.64 -33.19 73.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.527 . . . . 2.66 111.073 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.95 70.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.359 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -77.28 -17.6 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.063 -0.517 . . . . 1.24 111.417 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.26 43.81 4.54 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.762 -0.732 . . . . 0.43 113.21 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.45 173.22 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.759 -0.46 . . . . 1.22 109.759 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.37 153.24 26.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.022 0.439 . . . . 2.33 110.868 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.89 -18.91 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.421 -0.809 . . . . 3.67 111.223 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -83.99 -5.85 59.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 3.2 111.018 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 1.66 23.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.713 0.292 . . . . 0.67 111.177 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 7.7 p -62.16 -40.09 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 0.54 111.25 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -66.53 -37.15 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 1.63 110.698 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.64 94.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.909 -0.663 . . . . 0.76 111.843 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -45.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.657 0.265 . . . . 0.71 110.667 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 93.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 1.14 111.309 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.16 -31.82 80.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 1.25 111.987 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -79.89 -35.42 38.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.783 0.325 . . . . 3.16 110.998 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -73.77 -175.36 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 2.02 111.862 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.51 -44.87 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.059 -0.519 . . . . 2.64 110.627 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.8 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 1.7 111.983 -164.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.085 -0.709 . . . . 1.96 109.085 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 54.6 tp -54.27 -43.85 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.103 0.478 . . . . 0.6 110.934 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -65.65 -31.28 72.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.63 112.102 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.419 0.628 . . . . 2.3 109.629 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 98.0 mt -59.1 -53.33 49.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.799 -1.091 . . . . 0.61 110.948 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.47 -26.0 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.83 111.532 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.49 -34.84 65.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 1.83 110.637 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -85.58 -17.59 35.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.5 110.981 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.544 -0.298 . . . . 1.71 110.675 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.628 -0.508 . . . . 1.09 109.628 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -76.1 165.12 25.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.077 -0.342 . . . . 1.33 110.077 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.61 -54.49 22.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.932 0.396 . . . . 2.1 111.366 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 10.0 pt-20 -58.06 -35.22 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 1.58 111.472 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.2 mt-10 -76.75 -36.58 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.538 . . . . 1.54 110.706 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.522 ' O ' HG13 ' B' ' 26' ' ' ILE . 91.3 mt -65.0 -49.71 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.729 174.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.8 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.508 -0.769 . . . . 0.2 111.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.91 84.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.31 110.687 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' B' ' 74' ' ' PHE . 42.7 mt -70.58 -34.71 72.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.497 -0.319 . . . . 0.46 111.153 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.1 mt -61.67 -51.13 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.019 -0.537 . . . . 0.27 110.653 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.8 m -71.56 -29.12 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.573 -0.285 . . . . 0.23 110.579 178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.11 -43.49 98.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.426 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' B' ' 33' ' ' ILE . 29.3 t80 -58.7 -51.47 69.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 1.25 110.357 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 23.1 m-85 -61.03 -42.2 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 1.22 110.825 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.6 t -60.68 -41.89 96.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 1.15 110.339 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -65.35 -39.55 92.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.99 110.455 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 29' ' ' TYR . 61.3 mt -58.37 -50.84 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.44 111.019 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.05 -24.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 0.47 111.221 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.76 -44.87 92.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.22 110.999 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -100.08 9.59 42.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.066 0.46 . . . . 2.08 111.178 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.99 61.19 3.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.018 -0.992 . . . . 2.6 110.687 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.6 -9.69 37.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 2.11 109.208 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 15.4 tt -120.59 160.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.95 -1.023 . . . . 0.52 109.818 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -70.83 155.6 40.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.18 -0.304 . . . . 1.82 110.18 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.33 -44.08 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.718 0.294 . . . . 2.19 111.79 -174.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.08 -34.94 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 2.29 110.791 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -74.15 -36.19 51.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.011 -0.614 . . . . 0.39 111.727 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.67 81.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.312 0.577 . . . . 0.38 110.038 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.32 -45.57 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.267 -0.879 . . . . 1.84 110.965 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.45 -30.36 70.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.98 110.83 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 66.6 mt -70.61 -20.0 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.41 111.168 175.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -73.77 -49.54 24.94 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.265 -0.174 . . . . 0.48 110.751 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.35 -31.5 53.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.014 0.435 . . . . 0.36 109.967 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' B' ' 53' ' ' CYS . . . -66.57 -42.73 86.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.37 110.316 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.5 tpp -50.74 -48.62 59.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.65 111.493 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.38 -50.0 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 1.99 111.525 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' B' ' 50' ' ' ALA . 6.2 p -71.33 -36.16 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 50' ' ' ALA . 86.9 mt -59.75 -51.42 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.3 0.571 . . . . 0.33 109.8 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.44 -41.33 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.276 -0.874 . . . . 0.8 110.403 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.67 -33.33 73.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 2.66 110.959 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.78 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.41 111.382 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -77.45 -17.4 58.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.387 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 44.1 4.56 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.72 -0.753 . . . . 0.42 113.198 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.61 173.25 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.39 153.29 26.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.051 0.453 . . . . 2.33 110.782 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.91 -18.93 64.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.304 -0.862 . . . . 3.67 111.133 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.15 -5.64 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.808 0.337 . . . . 3.19 111.019 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.63 1.71 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.317 . . . . 0.66 111.248 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 7.8 p -62.2 -40.11 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.53 111.206 -176.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -66.54 -36.95 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.78 0.324 . . . . 1.63 110.687 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.5 -43.91 93.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.93 -0.653 . . . . 0.74 111.837 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.75 0.31 . . . . 0.7 110.689 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 93.8 mt -63.09 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.13 111.223 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.21 -31.96 80.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.901 -0.666 . . . . 1.24 111.967 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -79.68 -35.46 39.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.742 0.306 . . . . 3.15 111.048 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.74 -175.45 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.027 0.441 . . . . 2.02 111.831 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.39 -44.97 85.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.206 0.527 . . . . 2.64 110.656 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' B' ' 25' ' ' LEU . 12.3 m-85 . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.756 -0.656 . . . . 1.7 111.974 -164.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.6 m80 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.138 -0.69 . . . . 1.95 109.138 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 54.9 tp -54.3 -43.82 71.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.135 0.493 . . . . 0.6 110.932 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' B' ' 29' ' ' TYR . . . -65.48 -31.44 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.63 112.126 -176.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -60.36 -39.91 88.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.461 0.648 . . . . 2.3 109.603 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 98.0 mt -59.14 -53.46 47.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.885 -1.052 . . . . 0.61 110.9 176.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.5 -25.84 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.83 111.512 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -73.5 -34.91 65.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.411 -0.359 . . . . 1.83 110.7 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.4 t -85.47 -17.72 35.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.5 110.918 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 120.678 0.275 . . . . 1.7 110.647 -179.545 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.323 0.582 . . . . 1.09 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.8 163.75 27.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.423 -0.808 . . . . 1.32 110.907 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -51.95 -46.41 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.219 0.533 . . . . 2.1 110.608 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -57.55 -41.51 81.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.029 -0.987 . . . . 1.57 111.69 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.82 -44.02 74.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 1.54 110.504 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 26' ' ' ILE . 48.3 mt -64.35 -49.56 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.44 110.515 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.7 77.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.2 111.087 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.1 86.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 0.31 110.745 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 97.7 mt -68.1 -34.09 75.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.46 110.859 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.0 mt -63.63 -52.18 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.079 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.13 -27.13 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.24 110.472 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -62.89 -47.12 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.59 110.366 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' O ' HG13 ' A' ' 33' ' ' ILE . 39.7 t80 -58.68 -51.46 69.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 1.25 110.887 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.88 -41.47 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.264 -0.426 . . . . 1.22 110.876 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -63.32 -35.54 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 1.15 110.902 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.5 m -64.36 -38.15 90.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.745 0.307 . . . . 0.99 110.859 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.2 mt -68.09 -43.97 84.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.936 0.398 . . . . 0.43 110.964 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.14 -30.89 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.47 111.392 -176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.32 -37.86 88.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.524 -0.307 . . . . 2.22 111.068 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 32' ' ' SER . 46.7 pttt -90.48 1.78 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 2.08 111.048 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 55.27 48.62 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.415 -0.811 . . . . 2.6 110.787 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -93.09 -28.86 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.451 0.644 . . . . 2.12 109.79 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.4 tt -93.84 151.38 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.252 -0.885 . . . . 0.51 109.796 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 m -64.33 153.02 39.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.467 -0.333 . . . . 1.82 111.249 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.59 -47.27 63.6 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.085 0.402 . . . . 2.19 112.085 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.87 -45.64 86.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.544 -0.298 . . . . 2.3 111.061 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.4 96.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.033 -0.603 . . . . 0.39 112.024 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -47.2 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 0.38 110.692 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.83 -36.42 82.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.865 -0.607 . . . . 1.84 110.668 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.2 t -62.8 -39.66 94.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.98 110.08 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.73 -25.97 66.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.41 111.309 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -67.34 -52.88 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.781 -0.19 . . . . 0.48 111.245 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.53 -34.82 72.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.36 109.949 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.78 -42.1 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 0.37 110.478 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.5 ttm -67.76 -36.54 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.65 111.436 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.4 -33.82 76.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.521 . . . . 1.99 109.822 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.8 m -72.0 -46.21 58.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.491 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.3 mt -55.7 -53.63 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.113 0.482 . . . . 0.34 110.507 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 14.0 p -60.05 -46.67 88.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.646 -0.706 . . . . 0.8 111.553 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.61 -33.28 74.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 2.66 111.065 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -35.26 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.42 111.543 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 51.5 m-85 -94.61 -20.86 19.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 1.24 111.041 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 43.94 2.1 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.811 -0.709 . . . . 0.43 113.555 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' SER . 50.7 p90 -150.14 179.9 7.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.04 0.42 . . . . 1.22 110.012 175.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.72 169.9 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.32 -0.252 . . . . 2.33 110.32 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.677 ' O ' HG12 ' A' ' 65' ' ' VAL . 68.1 ttt180 -60.79 -45.34 94.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.75 0.278 . . . . 3.67 111.75 -174.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -67.96 -9.54 46.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.747 0.277 . . . . 3.2 111.747 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -82.57 -14.16 55.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.741 -0.209 . . . . 0.67 111.397 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 62' ' ' ARG . 8.6 p -60.55 -35.21 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.843 0.354 . . . . 0.54 110.776 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -62.36 -35.3 78.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.63 110.527 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.27 -41.07 27.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.967 -0.635 . . . . 0.76 111.975 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 64' ' ' ALA . 58.7 mt -61.14 -45.18 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.336 . . . . 0.71 110.303 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 72' ' ' SER . 87.5 mt -72.87 -0.9 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 1.14 111.439 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.03 -25.86 10.09 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.792 -0.718 . . . . 1.25 111.691 175.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.39 -24.52 13.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.047 0.451 . . . . 3.16 111.056 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 69' ' ' LEU . 57.3 p -75.18 173.7 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 2.02 111.215 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -90.8 13.09 17.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.877 -0.601 . . . . 2.64 110.782 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CG ' HD11 ' A' ' 25' ' ' LEU . 80.6 m-85 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.389 0.614 . . . . 1.7 109.867 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.271 -0.64 . . . . 1.96 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 38.0 tp -55.25 -54.17 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.6 111.289 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.17 -30.82 71.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.327 -0.397 . . . . 0.63 111.402 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -65.27 -43.53 90.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.54 0.686 . . . . 2.3 109.572 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.08 -50.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.848 -1.069 . . . . 0.61 110.798 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.83 111.082 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -69.7 -17.94 63.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.269 0.557 . . . . 1.83 110.542 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m -89.36 -8.89 52.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.866 -0.606 . . . . 1.5 110.964 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 1.71 111.207 -177.099 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.329 0.585 . . . . 1.09 109.642 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.94 163.59 27.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.337 -0.847 . . . . 1.33 110.973 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -51.81 -46.44 64.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.182 0.515 . . . . 2.1 110.578 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.073 -0.967 . . . . 1.58 111.635 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.93 -44.12 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.271 0.558 . . . . 1.54 110.449 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.4 mt -64.14 -49.67 80.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.303 -0.862 . . . . 0.44 110.551 -179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.54 77.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.2 111.089 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.17 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.31 110.703 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 97.3 mt -68.0 -34.09 75.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.915 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.74 -52.12 61.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.27 111.113 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.09 -27.21 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.23 110.424 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.87 -47.17 84.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.841 -0.618 . . . . 1.58 110.333 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.462 ' O ' HG13 ' B' ' 33' ' ' ILE . 40.0 t80 -58.61 -51.59 69.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 1.25 110.84 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.75 -41.45 91.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.365 . . . . 1.22 110.868 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -63.53 -35.27 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.396 . . . . 1.15 110.882 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 50.8 m -64.6 -38.19 90.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.869 0.366 . . . . 0.99 110.823 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.1 mt -67.92 -43.96 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.937 0.399 . . . . 0.44 111.036 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.12 -31.02 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.47 111.395 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.23 -37.84 88.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.776 0.322 . . . . 2.22 111.101 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 32' ' ' SER . 46.6 pttt -90.35 1.43 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.417 . . . . 2.08 111.169 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttm 55.58 48.66 18.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.335 -0.848 . . . . 2.6 110.776 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.21 -28.66 16.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.583 0.706 . . . . 2.11 109.81 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.4 tt -94.14 151.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.22 -0.9 . . . . 0.52 109.797 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -64.38 153.17 39.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.419 -0.355 . . . . 1.82 111.194 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -51.75 -47.24 64.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.151 0.426 . . . . 2.19 112.151 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.05 -45.53 86.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.585 -0.279 . . . . 2.29 110.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.4 96.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.045 -0.598 . . . . 0.39 112.119 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.23 84.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.38 110.773 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.91 -36.33 82.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.712 -0.676 . . . . 1.84 110.621 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.3 t -62.81 -39.66 94.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.743 -0.662 . . . . 0.98 110.09 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.7 -26.17 66.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.41 111.328 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.19 -53.02 34.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.787 -0.188 . . . . 0.48 111.25 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.37 -34.86 72.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.027 0.441 . . . . 0.36 109.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.614 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.81 -42.05 97.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.37 110.507 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.424 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 11.3 ttm -67.66 -36.72 81.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.65 111.451 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.32 -33.78 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.368 0.604 . . . . 1.99 109.877 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.7 m -72.04 -46.07 58.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.554 -0.748 . . . . 1.05 110.484 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.1 mt -55.92 -53.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.063 0.459 . . . . 0.33 110.463 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 14.2 p -60.04 -46.6 89.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.8 111.582 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.86 -32.98 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 2.66 111.163 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.41 111.453 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 51.5 m-85 -94.82 -20.53 19.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.24 111.1 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 44.06 2.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.42 113.618 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' B' ' 55' ' ' SER . 50.9 p90 -150.26 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.938 -0.393 . . . . 1.23 109.938 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.77 169.79 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.397 -0.223 . . . . 2.33 110.397 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.686 ' O ' HG12 ' B' ' 65' ' ' VAL . 68.4 ttt180 -60.89 -45.13 95.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.724 0.268 . . . . 3.67 111.724 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.3 -9.36 47.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.163 -0.336 . . . . 3.19 111.76 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -82.71 -14.11 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.701 -0.227 . . . . 0.66 111.401 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 62' ' ' ARG . 8.9 p -60.44 -35.35 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.847 0.356 . . . . 0.53 110.89 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.7 m -62.17 -35.27 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 1.63 110.637 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.41 -40.95 26.76 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.992 -0.549 . . . . 0.74 112.028 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 64' ' ' ALA . 58.3 mt -61.25 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.7 110.288 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 1.13 111.471 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.18 -25.65 10.14 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.771 -0.728 . . . . 1.24 111.68 175.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -102.46 -24.75 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.988 0.423 . . . . 3.15 110.989 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 57.6 p -74.96 173.79 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.022 -0.536 . . . . 2.02 111.239 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -90.91 13.07 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 2.64 110.77 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' B' ' 25' ' ' LEU . 80.0 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 1.7 109.813 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.315 -0.624 . . . . 1.95 109.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 37.9 tp -55.13 -54.23 45.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.6 111.379 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.97 71.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.314 -0.403 . . . . 0.63 111.379 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -65.29 -43.68 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.428 0.632 . . . . 2.3 109.5 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.03 -50.24 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.882 -1.054 . . . . 0.61 110.874 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.83 111.008 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -69.87 -17.36 63.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.138 0.494 . . . . 1.83 110.521 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.6 m -90.89 -7.09 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.779 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 1.7 111.136 -177.698 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.118 0.485 . . . . 1.09 111.242 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.64 157.7 36.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.24 -0.436 . . . . 1.32 110.125 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.88 -51.39 57.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 2.1 111.244 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.77 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 1.57 111.526 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 90.6 mt-10 -76.28 -37.55 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.15 -0.477 . . . . 1.54 110.939 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 76.4 mt -66.16 -49.59 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 0.44 109.765 175.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.06 72.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.2 110.682 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.55 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.31 110.669 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 74' ' ' PHE . 75.5 mt -66.86 -37.37 84.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.307 -0.406 . . . . 0.46 111.038 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.6 mt -62.01 -51.02 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.077 -0.51 . . . . 0.27 111.162 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.563 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 28.6 m -68.91 -32.94 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.93 -0.308 . . . . 0.24 110.667 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -66.99 -32.58 73.91 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.073 0.463 . . . . 1.59 110.233 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' O ' HG13 ' A' ' 33' ' ' ILE . 54.3 t80 -68.68 -51.83 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.826 -0.624 . . . . 1.25 110.697 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 18.4 m-85 -61.17 -44.75 96.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.22 111.259 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 p -67.49 -22.24 65.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.404 -0.362 . . . . 1.15 111.121 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -71.84 -41.53 68.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 0.99 110.238 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 29' ' ' TYR . 16.6 mt -66.45 -39.29 83.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.181 -0.463 . . . . 0.43 110.836 -177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 31' ' ' SER . 20.6 m -76.48 -27.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.47 110.635 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.55 74.11 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.127 0.489 . . . . 2.22 110.119 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -1.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.841 -0.618 . . . . 2.08 110.855 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' CE ' ' HG2' ' A' ' 41' ' ' GLU . 19.7 tptm 55.93 45.63 23.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.858 -1.064 . . . . 2.6 111.43 175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.75 -18.01 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.323 0.582 . . . . 2.12 110.235 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 18.6 tt -94.12 150.78 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.823 -0.626 . . . . 0.51 110.149 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -59.01 138.53 57.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 1.82 110.558 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 37' ' ' LYS . 39.3 mt-10 -62.32 -29.63 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.267 -0.879 . . . . 2.19 112.326 -170.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.56 -46.96 71.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.037 0.446 . . . . 2.3 109.989 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.47 85.66 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.39 111.898 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.47 89.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.947 0.404 . . . . 0.38 110.45 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.48 -41.21 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.497 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.98 110.384 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.75 -27.19 62.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 0.41 110.98 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.8 m120 -68.19 -50.35 54.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.727 -0.215 . . . . 0.48 110.801 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -35.48 75.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.019 0.438 . . . . 0.36 110.207 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.37 110.642 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.4 tpp -57.39 -48.66 78.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.776 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -43.99 94.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.602 -0.726 . . . . 1.99 110.214 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.49 -46.91 86.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.608 -0.723 . . . . 1.05 111.689 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.0 mt -60.37 -51.01 77.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.014 0.435 . . . . 0.34 110.325 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 18.7 m -59.81 -46.45 89.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 0.8 110.726 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 2.66 111.268 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.3 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.754 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -91.4 -12.09 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.841 0.353 . . . . 1.24 111.486 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.56 39.73 9.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 0.43 113.257 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.3 p90 -138.37 164.89 28.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.038 0.419 . . . . 1.22 109.904 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -98.02 143.72 28.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.982 0.42 . . . . 2.33 110.441 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 ptt180 -60.12 -19.83 55.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.417 -0.811 . . . . 3.67 111.293 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -84.79 -15.53 44.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.354 -0.384 . . . . 3.2 110.685 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 -0.27 53.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.67 111.483 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 62' ' ' ARG . 3.8 p -58.47 -38.85 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.834 0.349 . . . . 0.54 111.17 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -63.3 -37.13 86.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 1.63 110.128 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.32 -39.7 70.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.76 112.183 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.56 -48.2 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.069 0.462 . . . . 0.71 110.622 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.25 -36.72 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 1.14 110.826 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.27 -26.27 72.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.78 -0.724 . . . . 1.25 112.061 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -68.99 -57.35 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 3.16 111.148 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.3 m -98.64 -115.06 0.15 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.152 -0.476 . . . . 2.02 111.149 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -126.04 -147.73 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.0 -0.371 . . . . 2.64 110.0 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 25' ' ' LEU . 70.3 m-85 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.673 0.749 . . . . 1.7 109.78 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.1 m80 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.569 -0.53 . . . . 1.96 109.569 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' LEU . 40.7 tp -56.09 -53.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.809 0.338 . . . . 0.6 110.83 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.43 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.365 . . . . 0.63 111.478 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.41 -45.57 87.02 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.333 0.587 . . . . 2.3 109.682 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' B' ' 86' ' ' ALA . 46.7 mt -58.44 -50.34 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 0.61 111.159 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -60.07 -38.61 83.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.83 111.089 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -69.52 -37.51 77.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.83 110.784 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -69.53 -28.42 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.085 0.469 . . . . 1.5 110.501 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.238 -0.437 . . . . 1.71 111.068 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.153 0.501 . . . . 1.09 111.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.71 157.63 36.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.157 -0.474 . . . . 1.33 110.226 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.73 -51.51 55.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.408 . . . . 2.1 111.19 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.72 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.644 -0.707 . . . . 1.58 111.512 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 90.3 mt-10 -76.31 -37.44 57.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.134 -0.485 . . . . 1.54 110.945 -175.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' B' ' 26' ' ' ILE . 76.4 mt -66.2 -49.54 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.101 -0.5 . . . . 0.44 109.859 175.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.07 72.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.715 -0.675 . . . . 0.2 110.719 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.43 75.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.643 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' B' ' 74' ' ' PHE . 75.1 mt -66.94 -37.37 84.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.374 -0.375 . . . . 0.46 110.979 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -62.03 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.27 111.173 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.555 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 28.6 m -68.99 -32.8 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.86 -0.336 . . . . 0.23 110.763 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -67.05 -32.46 73.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 1.58 110.37 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' TYR . . . . . 0.422 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.0 t80 -68.77 -51.83 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 1.25 110.693 177.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.76 96.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.235 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -67.61 -22.14 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 1.15 111.121 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -71.98 -41.56 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.99 110.085 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 29' ' ' TYR . 16.6 mt -66.43 -39.33 83.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.157 -0.474 . . . . 0.44 110.822 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.45 -27.08 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.47 110.63 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.81 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.133 0.492 . . . . 2.22 110.021 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 -1.81 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 2.08 110.945 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.433 ' CE ' ' HG2' ' B' ' 41' ' ' GLU . 19.8 tptm 55.96 45.29 24.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.78 -1.1 . . . . 2.6 111.47 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.29 -18.39 18.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.189 0.519 . . . . 2.11 110.246 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 18.6 tt -93.71 150.75 3.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.855 -0.612 . . . . 0.52 110.152 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -58.91 138.54 57.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 1.82 110.607 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' CE ' ' B' ' 37' ' ' LYS . 40.0 mt-10 -62.7 -29.4 70.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.215 -0.902 . . . . 2.19 112.284 -169.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 -47.02 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.022 0.439 . . . . 2.29 110.077 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.6 86.2 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.604 -0.726 . . . . 0.39 111.884 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.38 110.364 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.64 -41.04 93.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.529 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -62.21 -34.54 76.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.98 110.449 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.74 -27.31 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.41 110.97 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.25 -50.06 56.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.625 -0.261 . . . . 0.48 110.94 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.69 -35.62 75.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.36 110.101 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.522 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -66.67 -34.45 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.37 110.622 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' MET . . . . . 0.555 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -57.42 -48.59 78.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.65 110.818 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.84 -44.07 94.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.588 -0.733 . . . . 1.99 110.21 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.56 -46.93 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.532 -0.758 . . . . 1.05 111.706 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.4 mt -60.41 -50.93 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.032 0.444 . . . . 0.33 110.262 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.7 m -59.87 -46.46 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.575 -0.739 . . . . 0.8 110.72 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.38 -42.41 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 2.66 111.271 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.19 90.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.41 111.776 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -91.5 -12.34 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.913 0.387 . . . . 1.24 111.46 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.59 9.5 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.42 113.279 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.5 p90 -138.18 165.1 27.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.911 -0.403 . . . . 1.23 109.911 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -98.18 143.68 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.038 0.447 . . . . 2.33 110.428 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 20.7 ptt180 -60.09 -19.8 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.389 -0.823 . . . . 3.67 111.323 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -84.81 -15.48 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 3.19 110.797 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.36 -0.33 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.66 111.533 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 3.8 p -58.39 -38.9 72.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.53 111.136 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -63.52 -36.76 84.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.63 110.187 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.53 -39.64 68.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.032 -0.604 . . . . 0.74 112.169 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.53 -48.22 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.971 0.415 . . . . 0.7 110.686 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -36.75 82.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.617 . . . . 1.13 110.859 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.16 -26.42 72.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 1.24 112.222 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.89 -57.43 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.829 0.347 . . . . 3.15 111.096 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.8 m -98.6 -115.18 0.15 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 2.02 111.126 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -126.02 -147.66 0.37 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.023 -0.362 . . . . 2.64 110.023 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.403 ' CD1' HD11 ' B' ' 25' ' ' LEU . 70.2 m-85 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.604 0.716 . . . . 1.7 109.676 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 m80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.574 -0.528 . . . . 1.95 109.574 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' B' ' 83' ' ' LEU . 40.7 tp -56.35 -53.28 59.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.6 110.862 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.4 72.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.42 -0.354 . . . . 0.63 111.484 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.24 -45.69 87.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.445 0.641 . . . . 2.3 109.668 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 86' ' ' ALA . 45.8 mt -58.47 -50.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.796 -1.093 . . . . 0.61 111.124 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.7 mp -60.13 -38.48 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.015 -0.538 . . . . 0.83 111.068 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -69.64 -37.58 76.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.272 -0.422 . . . . 1.83 110.839 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.7 t -69.47 -28.33 65.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 1.5 110.515 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 1.7 110.983 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.543 ' HG2' ' CD ' ' A' ' 73' ' ' GLU . 26.5 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.531 0.205 . . . . 6.45 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.425 ' HG2' ' OE2' ' A' ' 73' ' ' GLU . 23.2 mmt -76.21 147.82 38.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.149 0.5 . . . . 4.73 110.342 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HA ' ' ND2' ' B' ' 84' ' ' ASN . 15.3 m -89.17 12.06 16.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 2.01 110.676 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.82 78.68 0.28 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-N 115.135 -0.938 . . . . 1.09 111.322 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' ILE . 15.3 t -74.34 166.31 23.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 1.32 109.46 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -55.11 -53.73 52.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 2.1 111.049 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.44 -36.03 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.458 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.11 -41.07 82.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 1.54 110.603 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.7 mt -66.88 -52.07 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.796 -0.638 . . . . 0.44 110.195 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.81 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 0.2 110.742 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 65' ' ' VAL . . . -55.43 -54.19 46.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.31 111.068 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 74' ' ' PHE . 89.4 mt -63.84 -37.15 86.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.478 -0.328 . . . . 0.46 110.98 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 72.5 mt -63.3 -52.38 59.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.27 111.006 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.9 -30.08 42.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.974 -0.29 . . . . 0.24 110.938 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.54 -43.36 90.19 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 1.59 109.895 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CE2' HD11 ' A' ' 33' ' ' ILE . 43.4 t80 -61.85 -46.24 90.32 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.117 -0.492 . . . . 1.25 110.552 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.36 -38.3 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 1.22 110.376 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.5 m -63.68 -39.87 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 1.15 110.554 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 m -64.54 -37.42 87.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.99 111.054 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 29' ' ' TYR . 63.9 mt -60.68 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.242 -0.436 . . . . 0.43 111.113 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.9 -23.31 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.47 110.799 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.58 -46.51 88.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.374 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 32' ' ' SER . 20.8 ptmt -90.09 10.64 23.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 2.08 110.832 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? 39.91 51.21 2.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.459 1.104 . . . . 2.6 112.304 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -90.21 -29.35 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.387 0.613 . . . . 2.12 109.812 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.495 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.3 tt -85.89 160.9 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.093 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 t -76.64 158.77 30.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.248 -0.278 . . . . 1.82 110.248 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.63 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.721 0.296 . . . . 2.19 111.22 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 2.3 110.839 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.38 84.01 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.39 112.748 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.25 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.38 110.572 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -65.76 -38.15 88.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 1.84 110.683 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.7 m -58.35 -43.51 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.98 110.352 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.63 -27.8 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.41 111.315 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.56 -57.12 6.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.757 -0.201 . . . . 0.48 110.778 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.48 -34.81 71.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.36 110.488 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.615 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.5 -39.81 92.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.346 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttm -67.49 -38.11 83.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.65 110.862 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -59.92 -40.53 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.254 0.55 . . . . 1.99 109.741 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.27 -0.877 . . . . 1.05 111.055 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 50' ' ' ALA . 75.6 mt -58.22 -47.22 87.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.499 . . . . 0.34 109.859 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 20.0 m -62.32 -43.15 99.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.481 -0.781 . . . . 0.8 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.71 -39.16 90.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 2.66 111.014 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.14 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.42 111.825 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.05 -13.53 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.032 0.382 . . . . 1.24 112.032 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.79 52.31 5.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.992 -0.623 . . . . 0.43 112.89 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.7 p90 -150.38 166.7 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.585 -0.524 . . . . 1.22 109.585 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -100.2 157.62 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.54 -0.3 . . . . 2.33 110.341 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 65' ' ' VAL . 72.7 ttt180 -57.84 -57.11 14.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.266 -0.174 . . . . 3.67 111.366 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.72 -15.65 42.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.888 0.375 . . . . 3.2 111.403 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.79 -18.08 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.631 -0.259 . . . . 0.67 111.122 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -58.86 -33.79 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.86 0.362 . . . . 0.54 110.568 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -64.85 -29.99 70.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.232 0.539 . . . . 1.63 110.723 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.2 -42.86 7.31 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.76 111.79 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.77 -47.58 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.71 110.715 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 73.1 mt -77.32 3.7 12.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.14 110.988 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.97 -29.66 7.53 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.881 -0.888 . . . . 1.25 110.881 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -85.35 -43.6 13.54 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.923 0.392 . . . . 3.16 110.26 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -79.43 150.59 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 2.02 109.665 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' CD ' ' HG2' ' A' ' 14' ' ' MET . 0.3 OUTLIER -95.46 51.85 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.912 0.863 . . . . 2.64 112.006 -175.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 25' ' ' LEU . 73.5 m-85 -100.59 15.07 29.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.753 -1.112 . . . . 1.7 108.284 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 50.3 mtpt -68.23 141.08 56.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.866 -1.061 . . . . 2.85 111.449 -172.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.56 0.54 90.06 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.842 -0.694 . . . . 2.42 112.286 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' CG ' ' HG3' ' B' ' 88' ' ' ARG . 29.8 mm-40 -123.5 174.69 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 3.28 110.999 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -131.05 163.65 27.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.442 -0.947 . . . . 1.96 108.442 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 83' ' ' LEU . 56.5 tp -55.78 -49.42 73.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.759 0.314 . . . . 0.6 111.14 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.54 72.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.964 0.357 . . . . 0.63 111.964 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 2.3 109.911 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.85 -43.5 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.159 -0.928 . . . . 0.61 110.718 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.3 mp -68.28 -30.82 69.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.768 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' B' ' 16' ' ' SER . 3.8 t-20 -63.78 -34.93 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 1.83 111.015 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -7.57 55.73 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.968 0.359 . . . . 1.5 111.968 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.07 24.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.72 0.295 . . . . 1.71 110.554 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.425 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 27.5 p -166.27 102.36 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.291 -0.413 . . . . 3.09 110.527 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HG3' ' CG ' ' B' ' 77' ' ' GLN . 32.1 mmt180 -137.01 110.55 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 5.55 111.179 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.5 t -114.46 88.33 15.57 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.15 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.06 71.86 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.471 2.114 . . . . 3.95 111.058 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.54 91.3 2.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.441 -0.8 . . . . 5.08 110.303 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.526 -0.761 . . . . 4.12 110.401 -178.103 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.536 ' HG2' ' CD ' ' B' ' 73' ' ' GLU . 26.4 ptm . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.561 0.219 . . . . 6.44 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.41 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 23.2 mmt -76.23 148.02 37.94 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.286 0.565 . . . . 4.73 110.367 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.48 ' HA ' ' ND2' ' A' ' 84' ' ' ASN . 15.8 m -89.54 12.11 17.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.745 -0.661 . . . . 2.01 110.57 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.7 78.62 0.28 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.097 -0.956 . . . . 1.09 111.36 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.415 ' O ' HG13 ' B' ' 22' ' ' ILE . 16.2 t -74.35 166.16 23.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 1.33 109.48 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -54.94 -53.81 50.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 2.1 111.053 -173.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.42 -35.98 77.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.447 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.11 -41.15 82.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.0 0.429 . . . . 1.54 110.596 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 26' ' ' ILE . 71.1 mt -66.88 -51.95 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.635 . . . . 0.44 110.252 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.83 67.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.724 -0.671 . . . . 0.2 110.705 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' B' ' 65' ' ' VAL . . . -55.33 -54.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 0.31 111.076 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 74' ' ' PHE . 89.4 mt -63.83 -37.23 86.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.486 -0.324 . . . . 0.46 111.081 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.4 mt -63.18 -52.39 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 0.27 111.007 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.96 -29.99 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 121.01 -0.276 . . . . 0.23 110.945 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.54 -43.64 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.705 -0.48 . . . . 1.58 109.705 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' B' ' 33' ' ' ILE . 43.3 t80 -61.69 -46.3 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 1.25 110.534 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.24 -38.47 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.8 0.334 . . . . 1.22 110.357 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.2 m -63.43 -40.24 96.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 1.15 110.414 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 24.7 m -64.37 -37.41 87.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.538 -0.301 . . . . 0.99 110.981 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' B' ' 29' ' ' TYR . 63.9 mt -60.75 -48.82 87.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.3 -0.409 . . . . 0.44 111.102 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.71 -23.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.47 110.854 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.4 -46.46 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.474 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 32' ' ' SER . 20.7 ptmt -90.0 10.56 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 2.08 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 39.98 51.23 2.54 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.678 -1.146 . . . . 2.6 112.297 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -90.29 -29.15 18.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.381 0.61 . . . . 2.11 109.806 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.488 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.3 tt -86.23 160.95 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.156 -0.929 . . . . 0.52 110.095 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.9 t -76.65 158.73 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.105 -0.331 . . . . 1.82 110.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.71 -44.97 70.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.688 0.28 . . . . 2.19 111.128 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.67 -52.23 64.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 2.29 110.8 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.4 84.06 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.39 112.681 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.11 97.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.766 0.317 . . . . 0.38 110.618 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -65.88 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 1.84 110.627 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 11.9 m -58.5 -43.47 89.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.98 110.243 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.7 -27.77 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.41 111.372 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.44 -57.29 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.646 -0.252 . . . . 0.48 110.74 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.46 -34.78 71.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.89 0.376 . . . . 0.36 110.51 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.625 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.56 -39.71 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.37 110.244 176.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.1 ttm -67.63 -38.2 83.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.65 110.776 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.03 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 1.99 109.755 174.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.9 m -69.95 -42.76 72.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.266 -0.879 . . . . 1.05 111.071 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.625 HG13 ' O ' ' B' ' 50' ' ' ALA . 76.0 mt -58.2 -47.23 87.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.243 0.544 . . . . 0.33 109.933 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -62.31 -43.03 99.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.811 . . . . 0.8 110.989 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.9 -39.08 90.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 2.66 110.934 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.32 -51.17 55.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.41 111.814 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -84.08 -13.56 52.73 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 1.24 112.022 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 52.09 5.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.912 -0.661 . . . . 0.42 112.891 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.7 p90 -150.29 166.6 29.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.691 -0.485 . . . . 1.23 109.691 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -100.18 157.81 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.244 -0.28 . . . . 2.33 110.244 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.726 ' O ' HG12 ' B' ' 65' ' ' VAL . 72.6 ttt180 -57.87 -57.18 13.89 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 121.327 -0.149 . . . . 3.67 111.351 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.63 -15.49 40.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.929 0.395 . . . . 3.19 111.503 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.0 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.575 -0.284 . . . . 0.66 111.157 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.726 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -58.87 -33.99 51.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 0.53 110.58 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -64.59 -30.32 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.006 -0.543 . . . . 1.63 110.695 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.0 -42.74 7.46 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.115 -0.564 . . . . 0.74 111.846 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.81 -47.39 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.7 110.633 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 72.5 mt -77.24 3.37 13.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 1.13 110.958 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -29.66 7.56 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.803 -0.919 . . . . 1.24 110.803 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -85.32 -43.65 13.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 3.15 110.282 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -79.52 150.66 31.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.93 -0.577 . . . . 2.02 109.608 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.536 ' CD ' ' HG2' ' B' ' 14' ' ' MET . 0.3 OUTLIER -95.63 51.95 1.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.886 0.85 . . . . 2.64 111.972 -175.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 25' ' ' LEU . 73.3 m-85 -100.57 14.9 29.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.678 -1.146 . . . . 1.7 108.266 167.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 69' ' ' LEU . 50.4 mtpt -68.19 141.19 56.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.863 -1.062 . . . . 2.85 111.333 -172.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.75 0.33 90.04 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.904 -0.665 . . . . 2.43 112.323 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.545 ' CG ' ' HG3' ' A' ' 88' ' ' ARG . 28.6 mm-40 -123.54 174.66 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.296 0.569 . . . . 3.28 110.871 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -130.82 163.71 26.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.423 -0.954 . . . . 1.95 108.423 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 83' ' ' LEU . 56.6 tp -55.75 -49.48 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.6 111.084 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.934 0.346 . . . . 0.63 111.934 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.41 -35.77 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.361 0.601 . . . . 2.3 109.869 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.59 -43.56 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.274 -0.876 . . . . 0.61 110.616 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.4 mp -68.27 -30.88 70.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.83 110.759 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 16' ' ' SER . 3.7 t-20 -63.68 -34.96 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 1.83 110.99 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 p -77.96 -4.86 49.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.912 0.338 . . . . 1.5 111.912 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.24 152.93 22.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 1.7 110.37 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.437 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 29.0 p -165.97 102.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.164 -0.471 . . . . 3.09 110.407 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.524 ' HG3' ' CG ' ' A' ' 77' ' ' GLN . 32.2 mmt180 -137.1 110.5 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 5.55 111.228 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.0 t -114.37 88.19 15.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 3.58 110.216 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.02 71.72 6.52 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.49 2.127 . . . . 3.95 111.147 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -74.5 91.01 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.44 -0.8 . . . . 5.08 110.38 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.454 -0.794 . . . . 4.13 110.495 -178.01 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.53 -0.174 . . . . 6.45 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 59.2 mtm 63.97 -70.18 0.08 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.988 0.915 . . . . 4.73 110.685 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 p -76.56 89.24 3.29 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.038 -0.726 . . . . 2.01 109.038 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.22 104.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.056 0.848 . . . . 1.09 111.802 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 22' ' ' ILE . 34.2 p -80.21 173.77 12.27 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.735 -0.666 . . . . 1.32 110.488 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.05 -48.64 70.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.396 -0.366 . . . . 2.1 111.629 -175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.39 -34.63 76.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.582 -0.281 . . . . 1.57 111.333 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 51.5 mt-10 -67.51 -44.27 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 1.54 110.768 -178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 mt -65.06 -50.26 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 0.44 110.497 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.76 73.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.2 110.867 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.6 89.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.31 111.174 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.96 -33.46 61.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.46 110.852 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 22' ' ' ILE . 76.9 mt -63.86 -50.91 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.27 110.997 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 33.0 m -67.46 -30.18 48.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.844 0.354 . . . . 0.24 110.359 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.33 -42.44 96.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 1.59 109.554 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.1 t80 -62.65 -51.85 65.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.006 -0.543 . . . . 1.25 110.877 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.87 -41.66 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.59 -0.277 . . . . 1.22 111.652 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 p -67.94 -31.85 71.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 1.15 110.694 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -66.37 -41.4 89.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.99 110.025 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.8 mt -56.68 -50.89 72.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.95 -0.568 . . . . 0.43 111.058 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.5 m -73.11 -27.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.469 -0.332 . . . . 0.47 111.277 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.83 -44.39 93.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.136 0.494 . . . . 2.22 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -94.83 4.75 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 2.08 110.881 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt 52.87 55.93 8.3 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 114.991 -1.004 . . . . 2.6 110.886 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -88.66 -8.65 54.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.254 1.025 . . . . 2.12 108.363 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.1 tt -122.99 153.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.739 -1.119 . . . . 0.51 110.555 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 m -67.82 141.98 56.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 1.82 109.881 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.46 -25.04 59.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.398 -0.819 . . . . 2.19 112.429 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.77 -38.61 73.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.006 0.431 . . . . 2.3 110.199 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.97 -27.74 57.82 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.444 -0.662 . . . . 0.39 111.444 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.44 98.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.981 0.419 . . . . 0.38 110.438 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.99 -40.37 93.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.525 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.499 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.86 -23.98 62.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.504 -0.316 . . . . 0.41 111.09 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.18 -52.72 31.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.597 0.237 . . . . 0.48 110.733 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.32 -36.03 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.964 0.411 . . . . 0.36 110.242 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.98 -35.17 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.37 110.637 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 21.6 tpp -54.42 -50.0 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.65 111.037 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.953 -0.567 . . . . 1.99 110.462 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.4 m -63.47 -45.93 88.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.179 -0.464 . . . . 1.05 111.05 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.4 mt -60.72 -50.12 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.164 0.507 . . . . 0.34 110.06 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 20.3 m -60.74 -48.14 83.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.489 -0.778 . . . . 0.8 110.933 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.39 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 2.66 111.143 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.9 -34.35 75.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.659 . . . . 0.42 111.715 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 65.9 m-85 -100.79 -2.24 32.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.812 0.339 . . . . 1.24 111.616 -177.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.71 41.76 8.71 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.837 -0.696 . . . . 0.43 113.454 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 55' ' ' SER . 45.1 p90 -145.34 161.52 39.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.901 0.35 . . . . 1.22 110.108 174.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -101.2 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.019 -0.363 . . . . 2.33 110.019 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.666 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.4 mtt180 -53.11 -47.27 68.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.649 0.261 . . . . 3.67 111.572 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.07 -13.41 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.729 0.27 . . . . 3.2 111.729 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.61 -17.41 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.708 -0.224 . . . . 0.67 111.581 -176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 62' ' ' ARG . 12.7 p -62.71 -29.41 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.042 0.448 . . . . 0.54 110.297 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 m -62.15 -39.29 92.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.799 -0.637 . . . . 1.63 110.288 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.91 -39.86 53.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.85 -0.69 . . . . 0.76 111.91 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -59.19 -53.85 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.237 -0.282 . . . . 0.71 110.237 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.8 -3.11 17.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 1.14 111.443 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.57 -34.01 29.56 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.687 -0.768 . . . . 1.25 111.229 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.32 -39.42 10.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 3.16 110.219 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' A' ' 21' ' ' GLU . 31.0 m -61.3 141.89 57.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 2.02 110.022 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 88' ' ' ARG . 12.7 pt-20 -85.48 0.55 52.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.071 -0.513 . . . . 2.64 111.36 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -82.1 56.84 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 1.7 110.211 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -112.42 148.78 33.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.331 -0.85 . . . . 2.85 109.87 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.6 -66.28 3.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.695 -0.764 . . . . 2.42 111.363 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.51 138.88 55.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.047 0.451 . . . . 3.28 110.577 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.33 161.97 14.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.975 -0.75 . . . . 1.96 108.975 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 58.8 tp -52.61 -49.81 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.55 0.574 . . . . 0.6 112.55 -171.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' B' ' 22' ' ' ILE . . . -69.69 -27.24 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.122 0.415 . . . . 0.63 112.122 -174.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.13 -36.37 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.236 -0.653 . . . . 2.3 109.236 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 77.1 mt -61.11 -49.58 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.61 110.203 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.9 mp -64.72 -32.33 73.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.83 110.821 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.26 -21.64 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 1.83 110.601 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 m -82.05 -10.41 59.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 1.5 110.745 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.41 175.3 10.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 1.71 110.388 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -148.6 135.87 20.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.952 0.406 . . . . 3.09 110.698 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' B' ' 73' ' ' GLU . 16.3 ptt180 -75.03 141.41 43.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 5.55 110.758 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.48 79.77 37.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.153 0.502 . . . . 3.58 109.691 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -92.61 176.98 1.6 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.148 2.566 . . . . 3.95 112.298 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 58.37 36.47 25.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.621 . . . . 5.08 110.912 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.356 -0.83 . . . . 4.12 109.139 179.584 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.547 -0.168 . . . . 6.44 110.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 59.0 mtm 64.18 -70.38 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.864 0.866 . . . . 4.73 110.703 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -76.53 89.47 3.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.971 -0.751 . . . . 2.01 108.971 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.49 104.85 0.05 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 124.002 0.814 . . . . 1.09 111.725 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.421 ' O ' HG13 ' B' ' 22' ' ' ILE . 32.4 p -80.33 173.97 12.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.567 -0.742 . . . . 1.33 110.414 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.31 -48.66 71.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.347 -0.388 . . . . 2.1 111.494 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -34.5 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.627 -0.261 . . . . 1.58 111.399 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' B' ' 72' ' ' SER . 51.5 mt-10 -67.56 -44.11 79.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.968 0.413 . . . . 1.54 110.874 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.462 ' O ' HG13 ' B' ' 26' ' ' ILE . 61.0 mt -65.17 -50.38 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.44 110.437 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.2 110.897 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.66 90.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 0.31 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -33.59 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.38 -0.373 . . . . 0.46 110.918 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.79 -50.88 75.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.27 111.026 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 33.0 m -67.47 -30.3 48.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.23 110.281 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.22 -42.36 96.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 1.58 109.664 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.507 ' O ' HG13 ' B' ' 33' ' ' ILE . 37.2 t80 -62.68 -51.84 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 1.25 110.914 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.458 -0.337 . . . . 1.22 111.648 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.3 p -67.81 -31.98 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 1.15 110.733 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.5 t -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 0.99 109.984 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 61.9 mt -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.97 -0.559 . . . . 0.44 111.08 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.21 -27.36 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.32 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.02 -44.14 93.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 2.22 110.82 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -94.82 4.45 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.158 0.504 . . . . 2.08 110.927 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 53.02 55.89 8.3 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.96 -1.018 . . . . 2.6 110.868 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.56 -8.6 54.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.257 1.027 . . . . 2.11 108.338 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.1 tt -122.94 153.15 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.711 -1.131 . . . . 0.52 110.528 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 42.8 m -67.59 142.0 56.61 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.139 -0.482 . . . . 1.82 109.88 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.73 -24.94 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.364 -0.835 . . . . 2.19 112.518 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.82 -38.9 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 2.29 110.034 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.61 -27.62 58.78 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.47 -0.652 . . . . 0.39 111.47 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.4 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.38 110.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.02 -40.51 93.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.577 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -61.7 -38.52 88.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 0.98 110.472 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.93 -23.84 62.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.41 111.245 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.06 -53.01 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.673 0.273 . . . . 0.48 110.67 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.36 110.226 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.518 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.06 -35.02 79.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.37 110.649 177.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.427 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 21.9 tpp -54.55 -50.17 68.56 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -67.75 -36.24 80.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.589 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.1 m -63.64 -45.89 88.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 1.05 111.072 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 50' ' ' ALA . 64.8 mt -60.76 -50.18 81.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.33 110.034 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 20.4 m -60.65 -48.08 83.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.378 -0.828 . . . . 0.8 110.907 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.5 -37.48 81.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 2.66 111.119 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.9 -34.4 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.71 -0.677 . . . . 0.41 111.769 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 66.2 m-85 -100.62 -2.29 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 1.24 111.56 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.73 42.14 8.47 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.475 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 45.1 p90 -145.76 161.6 39.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.923 0.362 . . . . 1.23 110.076 174.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.25 169.16 9.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.048 -0.353 . . . . 2.33 110.048 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.658 ' O ' HG12 ' B' ' 65' ' ' VAL . 88.3 mtt180 -53.21 -47.05 69.24 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.681 0.277 . . . . 3.67 111.577 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.26 -13.31 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.756 0.312 . . . . 3.19 111.721 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.78 -17.29 51.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.607 -0.27 . . . . 0.66 111.628 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 62' ' ' ARG . 12.7 p -62.77 -29.38 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.002 0.43 . . . . 0.53 110.319 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.6 m -62.29 -39.01 91.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.869 -0.605 . . . . 1.63 110.375 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.1 -39.9 52.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.936 -0.65 . . . . 0.74 111.744 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.29 -53.61 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.28 -0.267 . . . . 0.7 110.28 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.85 -3.24 18.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 1.13 111.526 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.32 -34.26 29.71 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.16 -0.776 . . . . 1.24 111.16 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.06 -39.51 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.221 -0.289 . . . . 3.15 110.221 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' B' ' 21' ' ' GLU . 31.0 m -61.35 142.12 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.466 . . . . 2.02 110.036 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 88' ' ' ARG . 12.8 pt-20 -85.81 0.65 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 2.64 111.28 -175.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -82.13 56.84 3.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.519 0.676 . . . . 1.7 110.242 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -112.36 148.89 33.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.274 -0.875 . . . . 2.85 109.89 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.46 -66.14 3.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 2.43 111.412 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.62 138.81 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 3.28 110.694 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.38 161.93 14.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.922 -0.77 . . . . 1.95 108.922 175.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 58.9 tp -52.64 -49.85 64.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.495 0.554 . . . . 0.6 112.495 -171.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -27.34 65.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.07 0.396 . . . . 0.63 112.07 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.436 0.636 . . . . 2.3 109.306 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 77.0 mt -61.04 -49.67 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 0.61 110.23 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.9 mp -64.64 -32.39 74.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.83 110.877 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.14 -21.68 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 1.83 110.62 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.9 m -82.29 -10.04 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.851 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.6 175.35 10.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.39 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 53.9 m -148.58 136.0 20.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.751 0.31 . . . . 3.09 110.658 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 73' ' ' GLU . 16.3 ptt180 -75.25 141.44 43.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 5.55 110.798 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -121.57 79.87 38.69 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.715 -0.476 . . . . 3.58 109.715 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -92.79 176.85 1.55 Allowed 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.161 2.574 . . . . 3.95 112.138 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 58.51 36.4 25.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 5.08 110.935 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.324 -0.846 . . . . 4.13 109.183 179.523 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' B' ' 84' ' ' ASN . 87.5 mtp . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.857 0.36 . . . . 6.45 110.751 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.0 mtt -70.81 -79.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 4.73 110.916 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -145.57 168.61 20.22 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.039 0.447 . . . . 2.01 110.102 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.2 73.51 1.52 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.315 -0.857 . . . . 1.09 109.311 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -72.54 157.43 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.59 -0.732 . . . . 1.32 110.365 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.2 -48.77 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 2.1 111.568 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.04 -38.13 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 1.57 111.457 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.37 -39.16 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.249 0.547 . . . . 1.54 110.376 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.5 mt -65.22 -51.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.481 -0.781 . . . . 0.44 110.389 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -33.74 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.2 111.113 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.14 86.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 0.31 111.114 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HB3' HD13 ' A' ' 79' ' ' LEU . 36.6 mt -73.5 -34.46 65.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.668 0.271 . . . . 0.46 111.128 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -61.56 -50.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.655 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.28 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.24 110.41 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.3 -49.52 77.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.039 -0.528 . . . . 1.59 110.649 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.7 t80 -62.37 -46.59 87.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 1.25 110.888 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.81 -42.75 99.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.618 0.247 . . . . 1.22 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -64.47 -34.47 78.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.064 0.459 . . . . 1.15 109.958 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -65.48 -40.15 92.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.758 -0.655 . . . . 0.99 110.691 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 29' ' ' TYR . 53.1 mt -59.35 -49.17 84.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.862 0.363 . . . . 0.43 110.86 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.93 -26.49 19.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.47 110.9 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.31 -46.84 78.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 2.22 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 14.5 ptmm? -87.97 5.56 40.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.217 0.532 . . . . 2.08 110.811 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.17 52.95 10.79 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.938 -1.028 . . . . 2.6 110.804 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 42.5 tt0 -98.57 -13.44 20.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 2.12 110.349 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.2 tt -112.52 151.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.51 110.608 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 m -68.79 153.57 43.55 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.009 -0.542 . . . . 1.82 110.485 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.98 -50.5 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.232 0.456 . . . . 2.19 112.232 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.18 -36.73 78.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.378 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -35.97 72.23 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.815 -0.707 . . . . 0.39 111.783 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.75 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.38 110.734 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -64.11 -31.85 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.617 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -67.15 -40.62 86.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.63 . . . . 0.98 109.841 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.33 -30.19 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.41 111.045 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.18 -58.66 7.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.48 110.995 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.31 -37.34 77.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.04 0.447 . . . . 0.36 110.436 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -65.15 -36.99 85.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.37 111.249 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 54' ' ' ILE . 27.8 ttm -71.33 -38.42 71.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.352 -0.385 . . . . 0.65 111.902 -173.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.45 -29.1 68.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.393 -0.523 . . . . 1.99 109.62 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.7 -41.28 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.595 . . . . 1.05 110.296 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.9 mt -57.62 -49.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.37 0.605 . . . . 0.34 109.491 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.9 m -59.17 -45.14 91.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 0.8 110.713 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.4 -40.87 98.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.205 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.59 74.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.42 112.129 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -103.3 -8.18 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 1.24 111.684 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.97 38.38 19.52 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.037 -0.601 . . . . 0.43 113.462 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 10.8 p90 -136.82 177.11 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.808 -0.441 . . . . 1.22 109.808 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.53 154.46 33.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.836 0.35 . . . . 2.33 110.293 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -61.2 -17.82 55.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.847 -0.615 . . . . 3.67 112.123 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.15 -4.15 58.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.751 0.31 . . . . 3.2 110.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.91 0.27 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.323 . . . . 0.67 111.501 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.42 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.54 111.534 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -66.5 -36.13 81.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 1.63 110.836 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.4 -37.6 92.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.972 -0.633 . . . . 0.76 112.034 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.42 -48.51 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 0.71 110.596 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.66 -37.96 89.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 1.14 111.231 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.22 74.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.924 -0.655 . . . . 1.25 112.849 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.95 -33.39 19.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 3.16 110.836 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 p -82.61 175.35 10.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 2.02 111.127 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -84.95 26.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.117 0.484 . . . . 2.64 110.377 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -112.97 7.0 18.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.459 0.647 . . . . 1.7 109.58 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.21 121.16 12.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.017 -0.992 . . . . 2.85 110.626 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.03 89.76 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.844 -0.616 . . . . 2.42 112.698 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -104.12 138.06 41.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.163 0.506 . . . . 3.28 111.551 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.16 129.97 38.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.158 -1.053 . . . . 1.96 108.158 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 25' ' ' LEU . 63.7 tp -43.43 -50.47 6.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.033 0.753 . . . . 0.6 113.033 -172.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.61 71.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.36 0.504 . . . . 0.63 112.36 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.77 -40.96 98.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.37 0.605 . . . . 2.3 109.523 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.6 mt -62.85 -41.57 93.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.798 -1.092 . . . . 0.61 110.844 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.801 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' B' ' 14' ' ' MET . 64.3 t30 -68.96 -29.77 68.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.517 -0.31 . . . . 1.83 110.83 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -76.69 -7.87 56.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.853 0.316 . . . . 1.5 111.853 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 161.89 28.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.687 0.279 . . . . 1.71 110.303 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -158.35 145.41 17.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.823 0.344 . . . . 3.09 110.761 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -142.19 162.59 35.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 5.55 109.594 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -99.74 107.6 46.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.349 -0.387 . . . . 3.58 110.161 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.58 66.04 8.58 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.849 2.366 . . . . 3.95 111.699 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.49 137.27 28.4 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.257 -0.883 . . . . 5.08 110.047 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.56 -0.733 . . . . 4.12 110.094 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 87.3 mtp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.704 0.288 . . . . 6.44 110.704 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtt -70.67 -79.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 4.73 110.801 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 m -145.68 168.69 20.09 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 2.01 110.056 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.27 73.55 1.52 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.432 -0.804 . . . . 1.09 109.334 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -72.5 157.29 37.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.548 -0.751 . . . . 1.33 110.519 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.07 -48.92 64.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.26 0.35 . . . . 2.1 111.556 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.99 -38.04 78.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 1.58 111.539 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.36 -39.2 81.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.267 0.556 . . . . 1.54 110.381 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.418 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.2 mt -65.32 -50.96 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.426 -0.806 . . . . 0.44 110.325 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.94 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.683 -0.689 . . . . 0.2 111.046 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.41 85.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.31 111.155 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' B' ' 79' ' ' LEU . 37.3 mt -73.1 -34.57 66.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.46 111.268 178.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -61.44 -50.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 0.27 110.611 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.29 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.23 110.389 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.32 -49.54 77.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.039 -0.528 . . . . 1.58 110.57 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.642 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.5 t80 -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 1.25 110.839 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.75 -42.72 99.34 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.152 -0.219 . . . . 1.22 110.916 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -64.51 -34.59 78.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.233 0.539 . . . . 1.15 109.938 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.6 t -65.29 -40.2 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.721 -0.672 . . . . 0.99 110.72 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.642 HG13 ' O ' ' B' ' 29' ' ' TYR . 53.0 mt -59.3 -49.13 84.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.863 0.363 . . . . 0.44 110.899 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.92 -26.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.249 -0.432 . . . . 0.47 110.924 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.15 -47.06 78.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 2.22 110.434 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' B' ' 38' ' ' GLU . 14.5 ptmm? -87.81 5.64 39.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.154 0.502 . . . . 2.08 110.833 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.13 53.02 10.74 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.954 -1.021 . . . . 2.6 110.814 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' B' ' 36' ' ' LYS . 42.7 tt0 -98.69 -13.47 20.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.665 . . . . 2.11 110.388 -175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -112.47 151.83 14.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.722 -0.672 . . . . 0.52 110.497 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -68.87 153.52 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.001 -0.545 . . . . 1.82 110.517 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -49.98 -50.58 46.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.182 0.438 . . . . 2.19 112.182 -173.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.1 -36.55 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 2.29 111.41 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.3 -36.12 70.16 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.761 -0.733 . . . . 0.39 111.768 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.55 79.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.38 110.704 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -64.37 -31.67 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.679 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -67.3 -40.62 86.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.64 . . . . 0.98 109.777 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.3 -30.12 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.03 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -60.25 -58.5 8.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.432 -0.349 . . . . 0.48 110.982 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.56 -37.29 77.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 121.006 0.432 . . . . 0.36 110.417 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.635 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.0 -37.01 86.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.988 -0.551 . . . . 0.37 111.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' B' ' 54' ' ' ILE . 27.8 ttm -71.4 -38.32 71.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.65 111.941 -173.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -67.23 -29.4 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.0 m -69.65 -41.37 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.05 110.194 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.635 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.5 mt -57.55 -49.07 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.479 0.656 . . . . 0.33 109.524 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 16.7 m -59.2 -45.15 91.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.064 -0.971 . . . . 0.8 110.663 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.32 -40.96 98.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 2.66 111.173 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.62 74.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 0.41 112.072 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.34 -8.17 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.766 0.317 . . . . 1.24 111.693 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 38.15 19.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.029 -0.605 . . . . 0.42 113.475 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 10.8 p90 -136.59 177.03 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.79 -0.448 . . . . 1.23 109.79 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.59 154.41 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.469 -0.332 . . . . 2.33 110.244 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -61.77 -16.93 53.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.895 -0.593 . . . . 3.67 112.103 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.68 -4.04 58.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.846 0.355 . . . . 3.19 110.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.97 0.46 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.66 111.427 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.47 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.53 111.477 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -66.48 -36.15 82.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.63 110.834 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.79 93.13 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.909 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.5 mt -71.23 -48.46 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.783 0.325 . . . . 0.7 110.572 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.69 -37.85 88.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.13 111.149 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.6 -29.52 75.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.96 -0.638 . . . . 1.24 112.755 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.56 -33.55 20.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.0 0.428 . . . . 3.15 110.898 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -82.63 175.05 10.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.079 -0.51 . . . . 2.02 111.183 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.7 26.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 2.64 110.372 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -113.02 7.09 17.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.344 0.592 . . . . 1.7 109.573 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 121.29 13.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 2.85 110.528 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.56 -0.15 89.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.697 -0.683 . . . . 2.43 112.857 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -103.9 138.04 41.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.212 0.529 . . . . 3.28 111.657 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.26 130.04 39.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.183 -1.043 . . . . 1.95 108.183 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' B' ' 25' ' ' LEU . 63.7 tp -43.6 -50.36 7.36 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.038 0.755 . . . . 0.6 113.038 -172.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.66 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.331 0.493 . . . . 0.63 112.331 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.67 -41.15 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.423 0.63 . . . . 2.3 109.53 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.72 -41.37 92.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.794 -1.094 . . . . 0.61 111.022 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.53 -31.58 67.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.795 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.475 ' O ' ' HA ' ' A' ' 14' ' ' MET . 64.3 t30 -68.84 -29.74 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.565 -0.289 . . . . 1.83 110.699 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -77.69 -5.8 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.755 0.28 . . . . 1.5 111.755 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.92 161.93 27.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.108 -0.33 . . . . 1.7 110.108 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -158.36 145.41 17.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 3.09 110.769 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -142.22 162.65 34.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.909 -0.587 . . . . 5.55 109.651 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.88 107.62 47.45 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.36 -0.382 . . . . 3.58 110.184 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.61 65.85 8.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.766 2.31 . . . . 3.95 111.764 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.24 137.06 28.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.245 -0.889 . . . . 5.08 110.058 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 15.1 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.815 -0.612 . . . . 4.13 110.205 178.191 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' B' ' 87' ' ' SER . 66.0 mtt . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.573 0.225 . . . . 6.45 110.579 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' A' ' 16' ' ' SER . 0.8 OUTLIER -91.87 -40.86 10.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.807 0.337 . . . . 4.73 111.28 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 15' ' ' MET . 59.8 m 72.2 -9.75 0.98 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.758 0.823 . . . . 2.01 111.546 -176.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 15' ' ' MET . . . 62.85 75.53 0.4 Allowed 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.55 -0.75 . . . . 1.09 111.191 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -80.16 163.24 24.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.007 -0.542 . . . . 1.32 109.851 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' B' ' 38' ' ' GLU . 64.8 mttp -52.64 -54.8 28.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.237 0.336 . . . . 2.1 111.805 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.94 -34.78 76.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 1.57 111.691 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.7 -43.43 76.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 1.54 110.47 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.3 mt -67.18 -46.77 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.409 -0.814 . . . . 0.44 110.441 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 0.2 110.827 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.23 85.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.31 110.928 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' ' 74' ' ' PHE . 97.9 mt -74.22 -35.9 63.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.713 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 22' ' ' ILE . 74.7 mt -63.87 -48.68 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.822 -0.627 . . . . 0.27 110.924 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.3 -32.73 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 121.014 -0.275 . . . . 0.24 110.639 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -62.08 -43.12 99.52 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.945 0.402 . . . . 1.59 110.098 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.6 t80 -58.55 -53.75 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.816 -0.629 . . . . 1.25 110.874 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.7 m-85 -61.24 -42.74 99.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.373 -0.376 . . . . 1.22 110.741 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -60.84 -39.71 90.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.1 -0.5 . . . . 1.15 110.469 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 10.2 t -73.85 -21.76 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.62 -0.264 . . . . 0.99 110.938 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 29' ' ' TYR . 60.4 mt -67.97 -52.56 37.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.926 0.394 . . . . 0.43 110.043 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.2 m -72.14 -25.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.47 110.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.63 -50.91 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 2.22 111.066 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.3 pttm -104.76 25.64 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 2.08 111.457 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.87 62.01 1.34 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.822 -1.081 . . . . 2.6 112.804 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' B' ' 19' ' ' LYS . 22.1 mm-40 -97.28 -2.78 41.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.603 -0.726 . . . . 2.12 110.05 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.408 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.3 tt -131.84 155.08 41.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.313 -0.858 . . . . 0.51 109.539 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -81.23 169.06 17.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.679 0.276 . . . . 1.82 110.89 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.5 mp0 -51.39 -57.29 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.516 0.726 . . . . 2.19 112.17 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.72 -35.02 78.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 2.3 111.251 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.5 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -64.68 -41.18 97.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.727 -0.749 . . . . 0.39 111.663 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.55 75.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.077 0.465 . . . . 0.38 110.324 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.25 -46.01 83.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.422 -0.808 . . . . 1.84 111.35 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 p -70.54 -35.29 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.928 -0.309 . . . . 0.98 110.538 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 71.9 mt -64.39 -25.54 68.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.645 0.259 . . . . 0.41 110.81 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.91 -50.91 60.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.604 -0.271 . . . . 0.48 111.172 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.02 -34.12 68.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.012 0.434 . . . . 0.36 110.106 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.5 -28.6 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.37 110.541 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 14.4 tpp -66.02 -48.42 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.19 0.519 . . . . 0.65 110.402 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.59 -35.35 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.595 -0.729 . . . . 1.99 109.805 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.04 -60.93 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.646 -0.706 . . . . 1.05 111.251 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 50' ' ' ALA . 62.2 mt -54.71 -44.96 72.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.976 0.417 . . . . 0.34 110.753 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -60.98 -53.32 58.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.8 110.926 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.26 -45.24 81.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 2.66 111.575 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.42 111.736 -176.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -84.1 -20.35 32.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.792 0.33 . . . . 1.24 111.37 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 37.55 6.32 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.851 -0.69 . . . . 0.43 113.219 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.21 158.56 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.865 -0.42 . . . . 1.22 109.865 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -91.29 142.96 27.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.05 0.452 . . . . 2.33 110.392 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -63.83 -20.3 65.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.606 -0.725 . . . . 3.67 110.876 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.41 -2.62 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 3.2 110.923 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.24 2.85 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.591 -0.277 . . . . 0.67 111.559 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.5 -39.07 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.309 -0.405 . . . . 0.54 111.783 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 t -66.51 -33.14 75.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.403 . . . . 1.63 110.432 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.92 -46.38 82.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.921 -0.657 . . . . 0.76 111.733 176.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.07 -47.32 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.71 110.429 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . 92.9 mt -67.34 -21.13 65.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.14 111.586 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.19 -29.29 28.4 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.885 -0.674 . . . . 1.25 112.097 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 97.5 mttt -76.74 -47.22 22.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 3.16 110.289 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -75.74 154.0 36.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.982 -0.554 . . . . 2.02 110.619 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -76.03 20.34 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.553 -0.294 . . . . 2.64 111.791 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CG ' HD11 ' A' ' 25' ' ' LEU . 60.6 m-85 -81.89 -17.42 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.861 -0.422 . . . . 1.7 109.861 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 58.22 26.54 13.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.374 -0.83 . . . . 2.85 112.32 171.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 69' ' ' LEU . . . 64.42 27.96 72.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 2.42 112.897 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -79.11 145.41 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.859 0.361 . . . . 3.28 110.157 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -63.65 132.49 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 1.96 110.266 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 83' ' ' LEU . 51.9 tp -54.17 -35.93 62.84 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.36 -0.836 . . . . 0.6 111.245 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.64 78.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.63 111.287 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.02 -41.93 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.211 -0.663 . . . . 2.3 109.211 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.19 -45.75 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.863 -1.062 . . . . 0.61 111.219 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.0 mp -68.31 -30.11 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.83 111.399 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -71.48 -22.14 61.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 1.83 110.041 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.5 t -82.96 -10.93 58.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 1.5 110.566 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.6 53.83 2.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.41 0.624 . . . . 1.71 110.327 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.484 ' HB2' ' SD ' ' B' ' 14' ' ' MET . 3.8 p -79.01 90.79 4.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.572 -0.74 . . . . 3.09 111.337 -177.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -82.07 153.7 25.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.876 -0.602 . . . . 5.55 110.944 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -97.7 129.38 31.58 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.794 -0.639 . . . . 3.58 109.58 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.17 119.87 7.38 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.865 2.377 . . . . 3.95 112.673 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.57 162.0 14.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.051 -0.522 . . . . 5.08 109.907 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.616 -0.706 . . . . 4.12 109.265 179.124 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.484 ' SD ' ' HB2' ' A' ' 87' ' ' SER . 66.1 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.668 0.27 . . . . 6.44 110.572 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' B' ' 16' ' ' SER . 0.8 OUTLIER -91.79 -40.9 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.731 0.301 . . . . 4.73 111.287 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' B' ' 15' ' ' MET . 63.1 m 72.12 -9.46 1.0 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.338 -0.846 . . . . 2.01 111.602 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' B' ' 15' ' ' MET . . . 62.68 75.63 0.39 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.533 -0.758 . . . . 1.09 111.15 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -80.21 163.05 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.877 -0.601 . . . . 1.33 109.9 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 38' ' ' GLU . 64.7 mttp -52.53 -54.73 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.179 0.299 . . . . 2.1 111.783 -175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.358 . . . . 1.58 111.738 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.9 -43.34 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.201 0.524 . . . . 1.54 110.458 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.2 mt -67.0 -46.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.463 -0.79 . . . . 0.44 110.425 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -35.74 72.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.764 -0.653 . . . . 0.2 110.912 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.24 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.31 110.889 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.406 HD11 ' CG ' ' B' ' 74' ' ' PHE . 97.7 mt -74.28 -35.79 63.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.892 0.377 . . . . 0.46 110.666 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.8 mt -64.08 -48.48 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.27 110.878 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.33 -32.81 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 0.23 110.624 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.04 -43.08 99.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.009 0.433 . . . . 1.58 110.085 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.1 t80 -58.72 -53.71 55.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.75 -0.659 . . . . 1.25 110.766 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.496 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 22.6 m-85 -61.23 -42.65 98.98 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.436 -0.347 . . . . 1.22 110.802 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -60.89 -39.72 90.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 1.15 110.47 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 10.7 t -73.81 -21.86 60.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.646 -0.252 . . . . 0.99 110.879 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 29' ' ' TYR . 60.6 mt -67.94 -52.43 39.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.44 110.012 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.09 -25.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.47 110.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.59 -50.86 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.268 -0.878 . . . . 2.22 111.104 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 32' ' ' SER . 18.4 pttm -104.8 25.62 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.221 -0.445 . . . . 2.08 111.486 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.92 62.1 1.33 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.763 -1.108 . . . . 2.6 112.653 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.506 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 21.7 mm-40 -97.28 -2.95 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 2.11 110.067 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.56 155.11 41.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.314 -0.857 . . . . 0.52 109.49 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -81.19 169.06 17.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.661 0.267 . . . . 1.82 111.03 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' B' ' 41' ' ' GLU . 1.6 mp0 -51.45 -57.11 9.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 2.19 112.179 -173.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.75 -35.05 78.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.793 0.33 . . . . 2.29 111.193 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -64.77 -41.0 97.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.39 111.664 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -38.52 75.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.085 0.469 . . . . 0.38 110.365 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.19 -46.17 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.407 -0.815 . . . . 1.84 111.32 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 31.5 p -70.43 -35.27 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.862 -0.335 . . . . 0.98 110.539 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 70.7 mt -64.43 -25.53 68.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.57 0.224 . . . . 0.41 110.779 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -66.86 -51.08 59.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.48 111.098 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.98 -34.07 68.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.661 -0.416 . . . . 0.36 110.169 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.523 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.45 -28.56 67.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.37 110.678 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.496 ' HE1' ' HB2' ' B' ' 30' ' ' PHE . 14.6 tpp -66.14 -48.33 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.65 110.384 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.61 -35.32 80.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 1.99 109.734 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 50' ' ' ALA . 1.6 t -58.09 -60.84 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.704 -0.68 . . . . 1.05 111.239 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 50' ' ' ALA . 62.3 mt -54.83 -45.01 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-O 120.978 0.418 . . . . 0.33 110.715 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.96 -53.16 60.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.903 -0.59 . . . . 0.8 111.053 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.34 -45.24 80.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 2.66 111.588 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -63.23 -40.17 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.41 111.644 -175.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -83.73 -20.37 33.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.416 -0.356 . . . . 1.24 111.497 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.92 37.47 6.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.728 -0.748 . . . . 0.42 113.224 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -136.13 158.74 43.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.893 -0.41 . . . . 1.23 109.893 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -91.41 142.82 27.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.044 0.45 . . . . 2.33 110.39 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.78 -20.2 65.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 3.67 110.864 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.27 -3.21 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 3.19 110.856 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.75 2.84 22.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.525 -0.307 . . . . 0.66 111.491 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.55 -38.96 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.53 111.816 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.3 t -66.64 -32.91 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 1.63 110.518 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' B' ' 71' ' ' LYS . . . -65.98 -46.42 81.43 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.969 -0.634 . . . . 0.74 111.816 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.94 -47.41 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.115 0.484 . . . . 0.7 110.365 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.489 ' HB3' ' HA2' ' B' ' 76' ' ' GLY . 93.0 mt -67.41 -20.95 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.546 -0.752 . . . . 1.13 111.611 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.43 -29.22 27.93 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 1.24 112.08 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 67' ' ' GLY . 97.6 mttt -76.69 -47.35 22.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.912 0.386 . . . . 3.15 110.202 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -75.62 153.96 36.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.984 -0.553 . . . . 2.02 110.648 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -76.07 20.39 0.2 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.746 0.308 . . . . 2.64 111.782 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.406 ' CG ' HD11 ' B' ' 25' ' ' LEU . 60.6 m-85 -81.86 -17.59 46.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.841 -0.429 . . . . 1.7 109.841 175.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 58.21 26.55 13.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.369 -0.832 . . . . 2.85 112.392 171.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.489 ' HA2' ' HB3' ' B' ' 69' ' ' LEU . . . 64.6 27.68 72.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 2.43 112.9 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.83 145.44 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.845 0.355 . . . . 3.28 110.119 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -63.57 132.39 51.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.747 -0.66 . . . . 1.95 110.316 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 83' ' ' LEU . 51.9 tp -54.1 -36.08 62.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.419 -0.81 . . . . 0.6 111.171 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -35.36 77.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 0.63 111.415 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.14 -42.17 80.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.192 -0.67 . . . . 2.3 109.192 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.11 -45.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.787 -1.097 . . . . 0.61 111.191 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.0 mp -68.2 -30.06 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.83 111.418 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.69 -21.9 61.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.318 0.58 . . . . 1.83 110.002 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 34.9 t -83.25 -10.7 58.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.629 -0.714 . . . . 1.5 110.445 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.8 53.79 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.424 0.631 . . . . 1.7 110.291 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.471 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 3.7 p -78.95 90.89 4.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.615 -0.721 . . . . 3.09 111.283 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -82.2 153.28 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 5.55 111.076 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -97.35 129.14 32.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 3.58 109.605 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.33 119.85 7.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.804 2.336 . . . . 3.95 112.706 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.41 162.09 14.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.069 -0.514 . . . . 5.08 110.005 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.447 -0.787 . . . . 4.13 109.379 179.06 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.161 -0.311 . . . . 6.45 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.451 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 91.9 mmm -97.36 148.87 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.731 -0.47 . . . . 4.73 109.731 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -84.24 32.21 0.5 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.229 -0.441 . . . . 2.01 111.217 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.98 79.72 0.21 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.678 -0.692 . . . . 1.09 110.96 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -73.48 159.49 33.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 1.32 110.181 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -54.05 -51.58 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 2.1 111.257 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.62 -38.54 81.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.768 -0.651 . . . . 1.57 111.461 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.61 -46.99 83.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.138 0.494 . . . . 1.54 110.493 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.5 mt -65.76 -49.74 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.61 -0.723 . . . . 0.44 110.964 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.21 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 0.2 110.984 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.55 97.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.31 110.922 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 74' ' ' PHE . 87.5 mt -70.11 -35.65 74.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.454 . . . . 0.46 110.698 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 22' ' ' ILE . 83.8 mt -63.65 -50.93 75.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.27 111.029 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.19 -30.76 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.24 110.546 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.0 -42.91 99.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.138 -0.483 . . . . 1.59 110.495 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.0 t80 -62.71 -51.67 66.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 1.25 110.789 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.82 -44.1 97.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.369 . . . . 1.22 111.467 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 51.6 p -65.78 -26.24 67.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.61 0.243 . . . . 1.15 110.844 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -74.3 -31.47 62.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.99 110.798 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.5 mt -68.9 -45.28 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.43 110.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.11 -16.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.839 -0.618 . . . . 0.47 111.219 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.8 tp10 -67.03 -49.74 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 2.22 110.29 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.35 4.84 51.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 2.08 111.238 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 58.1 61.94 2.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.848 -1.069 . . . . 2.6 111.326 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.37 -5.36 20.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 2.12 111.268 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -107.7 162.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.95 -0.568 . . . . 0.51 110.162 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -67.47 158.67 31.29 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.051 0.219 . . . . 1.82 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.94 -52.27 65.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.757 0.313 . . . . 2.19 111.771 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.58 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.048 0.452 . . . . 2.3 110.566 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -41.05 90.44 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 0.39 111.911 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.42 97.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.439 . . . . 0.38 110.635 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.02 -40.58 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.687 -0.688 . . . . 1.84 110.719 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -64.52 -32.85 74.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.043 -0.526 . . . . 0.98 110.817 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -71.64 -23.8 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.41 110.929 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.88 -51.74 30.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.555 -0.293 . . . . 0.48 110.514 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.31 -36.47 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.36 110.406 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.54 -33.11 74.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.37 110.632 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.9 tpp -57.67 -47.37 82.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.662 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.29 -42.86 99.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.869 -0.605 . . . . 1.99 110.429 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.64 -48.94 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 1.05 111.795 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 50' ' ' ALA . 45.7 mt -62.47 -50.03 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.34 110.743 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 25.9 p -63.73 -46.1 86.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.082 -0.508 . . . . 0.8 111.108 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.03 -32.48 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 2.66 110.915 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.87 -38.51 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.38 -0.373 . . . . 0.42 111.583 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 52.2 m-85 -95.06 -14.28 24.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 1.24 111.628 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.86 43.66 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.79 -0.719 . . . . 0.43 113.231 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 55' ' ' SER . 44.1 p90 -148.45 169.73 19.58 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.558 -0.534 . . . . 1.22 109.558 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -114.2 163.79 14.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.395 -0.224 . . . . 2.33 110.395 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.4 ttt180 -56.77 -43.81 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.453 0.168 . . . . 3.67 111.4 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.64 -9.6 20.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.064 0.394 . . . . 3.2 112.064 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -6.21 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.651 -0.249 . . . . 0.67 111.402 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 62' ' ' ARG . 10.8 p -63.84 -36.98 78.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.596 0.236 . . . . 0.54 111.071 -176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 p -61.9 -42.58 99.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.874 0.368 . . . . 1.63 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -64.26 -48.04 78.69 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.985 -0.626 . . . . 0.76 112.002 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.05 -47.38 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.71 110.638 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . 59.4 mt -64.88 -34.15 77.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 1.14 111.678 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.58 -29.57 72.89 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 1.25 112.333 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 34.9 mmtp -84.47 -37.53 21.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 3.16 110.759 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.2 p -61.98 155.45 23.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.02 112.079 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 15' ' ' MET . 14.1 mm-40 -78.1 17.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 2.64 110.416 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CG ' HD11 ' A' ' 25' ' ' LEU . 78.7 m-85 -109.82 -12.51 14.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 1.7 110.072 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt 59.54 24.76 13.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.498 -0.774 . . . . 2.85 112.843 168.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' HA2' ' HB3' ' A' ' 69' ' ' LEU . . . 70.33 28.2 71.66 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.019 -0.61 . . . . 2.42 113.282 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -81.63 145.14 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.303 -0.629 . . . . 3.28 109.303 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.519 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 38.3 m80 -61.91 135.36 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.66 -0.496 . . . . 1.96 109.66 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 83' ' ' LEU . 43.6 tp -53.17 -32.31 47.19 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.259 -0.882 . . . . 0.6 111.46 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.86 69.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.63 111.342 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 4.5 m-20 -62.75 -37.71 87.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.263 0.554 . . . . 2.3 109.93 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.56 -52.73 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.362 -0.835 . . . . 0.61 110.773 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.4 mp -62.54 -36.08 81.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.83 111.308 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.67 -38.06 80.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.312 0.577 . . . . 1.83 109.963 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -78.75 -20.41 50.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.618 . . . . 1.5 111.174 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' B' ' 86' ' ' ALA . . . -108.72 52.85 0.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.949 0.404 . . . . 1.71 111.404 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -77.29 139.74 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 3.09 110.616 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 3.3 mmp_? -114.52 144.98 42.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 5.55 109.784 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 7.4 p -88.01 118.03 69.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.972 0.415 . . . . 3.58 110.801 -177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 14.5 Cg_exo -70.61 77.08 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.079 2.519 . . . . 3.95 112.916 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -94.21 159.0 15.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.917 -0.583 . . . . 5.08 109.736 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.251 1.177 0 O-C-N 123.595 0.559 . . . . 4.12 110.882 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.083 -0.34 . . . . 6.44 110.083 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.454 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 91.9 mmm -97.24 149.07 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.85 -0.426 . . . . 4.73 109.85 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -84.5 32.27 0.51 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.443 -0.344 . . . . 2.01 111.162 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.89 79.78 0.21 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.707 -0.679 . . . . 1.09 110.942 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -73.63 159.4 33.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.142 -0.481 . . . . 1.33 110.196 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -53.94 -51.58 63.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 2.1 111.218 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.64 -38.59 81.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.58 111.516 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.74 -46.87 83.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.048 0.452 . . . . 1.54 110.466 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' B' ' 26' ' ' ILE . 70.5 mt -65.82 -49.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.44 110.934 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.14 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.2 110.916 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.49 97.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.665 -0.698 . . . . 0.31 110.906 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' B' ' 74' ' ' PHE . 87.5 mt -70.18 -35.54 74.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.007 0.432 . . . . 0.46 110.773 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 22' ' ' ILE . 83.6 mt -63.7 -50.99 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 0.27 111.02 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.02 -30.99 50.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.23 110.554 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.96 -42.8 99.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.111 -0.495 . . . . 1.58 110.474 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.566 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.0 t80 -62.86 -51.7 65.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.225 -0.443 . . . . 1.25 110.703 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.67 -44.19 96.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.468 -0.333 . . . . 1.22 111.54 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 47.8 p -65.79 -26.1 67.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.77 0.319 . . . . 1.15 110.896 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -74.47 -31.49 62.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.795 0.331 . . . . 0.99 110.861 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.3 mt -68.83 -45.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.095 0.474 . . . . 0.44 110.373 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.05 -16.13 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.47 111.239 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 31' ' ' SER . 9.6 tp10 -66.98 -49.69 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 2.22 110.266 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.51 5.24 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.271 0.558 . . . . 2.08 111.275 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 57.83 62.15 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 114.832 -1.076 . . . . 2.6 111.288 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.53 -5.48 20.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 2.11 111.312 -176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.1 tt -107.32 162.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.901 -0.59 . . . . 0.52 110.131 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 14.3 m -67.45 158.44 31.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.722 -0.217 . . . . 1.82 110.938 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.91 -52.3 65.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 2.19 111.758 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.54 -32.81 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 2.29 110.55 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -67.74 -40.94 89.83 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.796 -0.716 . . . . 0.39 111.877 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.015 0.436 . . . . 0.38 110.59 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.85 -40.79 96.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 1.84 110.826 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -64.64 -32.43 74.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.929 -0.578 . . . . 0.98 110.915 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.86 -23.68 61.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.295 . . . . 0.41 110.954 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.84 -51.87 29.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.54 -0.3 . . . . 0.48 110.538 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.24 -36.48 77.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.36 110.403 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.57 -33.21 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.445 -0.343 . . . . 0.37 110.634 177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 17.2 tpp -57.71 -47.35 82.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.65 110.618 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.1 -43.06 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.99 110.405 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.52 -48.98 77.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 1.05 111.85 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 50' ' ' ALA . 46.3 mt -62.56 -50.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.33 110.636 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 25.3 p -63.68 -46.08 87.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.149 -0.478 . . . . 0.8 111.137 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.98 -32.61 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 2.66 111.017 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.422 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.75 -38.56 89.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.41 111.601 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 52.7 m-85 -95.08 -14.16 24.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.469 -0.332 . . . . 1.24 111.601 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 43.19 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.65 -0.786 . . . . 0.42 113.377 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' B' ' 55' ' ' SER . 44.0 p90 -147.97 169.7 19.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.609 -0.515 . . . . 1.23 109.609 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.11 163.83 14.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.426 -0.212 . . . . 2.33 110.426 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.552 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.3 ttt180 -56.82 -44.01 81.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.47 0.176 . . . . 3.67 111.366 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.4 -9.78 20.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.986 0.365 . . . . 3.19 111.986 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.7 -6.25 40.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.736 -0.211 . . . . 0.66 111.444 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.0 p -63.89 -37.1 78.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.684 0.278 . . . . 0.53 110.989 -176.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.0 p -61.77 -42.4 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 1.63 110.922 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' B' ' 71' ' ' LYS . . . -64.44 -47.94 79.0 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.94 -0.647 . . . . 0.74 111.94 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.28 -47.25 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.7 110.607 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.506 ' HB3' ' HA2' ' B' ' 76' ' ' GLY . 60.1 mt -64.99 -34.0 77.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 1.13 111.707 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.44 -29.9 73.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 1.24 112.191 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' B' ' 67' ' ' GLY . 35.0 mmtp -84.48 -37.29 21.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.384 . . . . 3.15 110.696 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.4 ' C ' ' H ' ' B' ' 74' ' ' PHE . 97.3 p -62.24 155.21 25.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.662 -0.699 . . . . 2.02 112.153 -175.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' B' ' 15' ' ' MET . 14.1 mm-40 -77.94 17.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.524 -0.762 . . . . 2.64 110.378 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.505 ' CG ' HD11 ' B' ' 25' ' ' LEU . 78.6 m-85 -109.67 -12.67 14.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.194 -0.457 . . . . 1.7 110.17 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 59.69 24.8 13.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.468 -0.787 . . . . 2.85 112.88 168.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' B' ' 69' ' ' LEU . . . 70.33 28.1 71.82 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.956 -0.64 . . . . 2.43 113.353 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.74 145.16 30.63 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.272 -0.64 . . . . 3.28 109.272 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.506 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 38.3 m80 -61.8 135.42 57.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.681 -0.488 . . . . 1.95 109.681 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HD13 ' B' ' 83' ' ' LEU . 43.8 tp -53.22 -32.23 47.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.256 -0.884 . . . . 0.6 111.418 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.73 69.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.297 -0.41 . . . . 0.63 111.305 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ASP . . . . . 0.506 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 4.5 m-20 -62.71 -37.7 87.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.246 0.546 . . . . 2.3 110.014 177.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.62 -52.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.26 -0.882 . . . . 0.61 110.752 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.499 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.4 mp -62.45 -36.15 81.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.83 111.196 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.63 -38.08 80.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.271 0.557 . . . . 1.83 109.954 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -19.83 50.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.925 -0.58 . . . . 1.5 111.238 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . . . -109.05 52.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 1.7 111.387 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.8 m -77.13 140.01 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.309 -0.405 . . . . 3.09 110.518 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 88' ' ' ARG . 3.3 mmp_? -114.88 144.9 42.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.795 -0.446 . . . . 5.55 109.795 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 7.5 p -87.72 118.14 69.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 3.58 110.814 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 14.4 Cg_exo -70.62 77.11 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.066 2.511 . . . . 3.95 112.921 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -94.24 159.02 15.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.0 -0.546 . . . . 5.08 109.718 174.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.153 0 O-C-N 123.605 0.566 . . . . 4.13 110.898 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.706 ' N ' ' HG ' ' B' ' 87' ' ' SER . 26.9 ptm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.756 0.312 . . . . 6.45 110.812 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 mmt -103.6 1.58 32.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 4.73 110.335 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m 75.21 135.84 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.015 -0.993 . . . . 2.01 110.94 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.48 79.1 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.563 . . . . 1.09 110.894 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -74.13 150.75 40.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.32 110.08 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.79 -46.65 74.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.831 0.678 . . . . 2.1 112.831 -170.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.16 -31.41 72.24 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.014 -0.274 . . . . 1.57 111.137 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.04 -42.36 80.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 1.54 109.495 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' ILE . 94.0 mt -64.07 -46.53 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.932 -1.031 . . . . 0.44 110.582 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.94 -38.03 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.896 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.32 92.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.31 110.942 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 74' ' ' PHE . 48.8 mt -69.0 -37.09 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.502 -0.317 . . . . 0.46 110.889 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.9 mt -65.01 -52.4 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.27 110.961 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.706 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.0 m -65.65 -32.19 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.842 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.04 -40.33 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 1.59 110.222 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.8 t80 -63.53 -45.15 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.25 110.384 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 15.3 m-30 -59.27 -40.8 87.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 1.22 110.327 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 m -68.03 -28.39 67.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.627 . . . . 1.15 110.584 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 -32.95 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.99 110.269 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 29' ' ' TYR . 64.9 mt -64.44 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.43 110.571 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -81.6 -20.67 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.47 110.57 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.52 -51.05 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 2.22 109.737 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -16.7 60.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.41 0.624 . . . . 2.08 110.07 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 56.49 52.48 9.83 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 114.277 -1.328 . . . . 2.6 111.261 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.07 -13.25 27.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.76 0.79 . . . . 2.12 109.038 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.04 149.51 6.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.907 -1.042 . . . . 0.51 109.982 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -83.49 169.15 15.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.48 -0.327 . . . . 1.82 110.43 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 1.8 mp0 -50.99 -52.27 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.305 0.642 . . . . 2.19 112.639 -172.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.0 -45.34 90.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.816 0.341 . . . . 2.3 111.018 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.67 99.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.848 -0.692 . . . . 0.39 111.955 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.86 87.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.815 0.34 . . . . 0.38 110.626 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -36.71 84.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.159 -0.473 . . . . 1.84 110.696 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 m -62.21 -37.29 84.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.98 110.308 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.54 -27.84 62.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.41 110.652 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.62 -48.93 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.481 -0.327 . . . . 0.48 110.942 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.08 -38.4 81.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.695 -0.402 . . . . 0.36 110.083 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.0 -32.21 73.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.37 110.55 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.706 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.7 tpp -57.54 -49.28 76.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.65 110.666 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.73 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 1.99 110.466 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -60.69 -49.73 76.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.444 -0.798 . . . . 1.05 111.09 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.3 mt -61.07 -46.67 96.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.369 . . . . 0.34 110.475 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.51 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 41.7 m -57.2 -52.77 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.8 111.332 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.34 -28.63 63.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.735 0.303 . . . . 2.66 111.194 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.48 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.42 111.229 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.51 -21.5 32.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.036 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.31 42.15 4.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.947 -0.644 . . . . 0.43 113.175 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 24.2 p90 -137.59 155.12 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.104 -0.332 . . . . 1.22 110.104 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.72 145.54 26.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 2.33 110.34 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 65' ' ' VAL . 14.4 ttm180 -65.34 -21.72 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 3.67 110.923 -175.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 0.72 55.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.875 0.369 . . . . 3.2 111.03 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.37 0.27 24.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.67 111.443 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 62' ' ' ARG . 2.9 p -60.37 -42.48 91.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.648 -0.251 . . . . 0.54 111.294 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -65.45 -29.74 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.049 0.452 . . . . 1.63 110.048 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.44 39.13 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.759 -0.655 . . . . 0.76 112.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.13 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.411 . . . . 0.71 110.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.2 -3.14 28.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.193 0.521 . . . . 1.14 111.208 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.4 24.89 5.51 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.413 -1.075 . . . . 1.25 110.413 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.12 -64.52 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.217 -0.491 . . . . 3.16 110.425 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.1 m -87.24 -73.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.36 . . . . 2.02 110.708 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' B' ' 87' ' ' SER . 15.0 pt-20 -160.72 -151.76 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.53 -0.545 . . . . 2.64 109.53 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.435 ' CG ' HD11 ' A' ' 25' ' ' LEU . 49.1 m-85 66.39 40.84 3.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.366 -0.975 . . . . 1.7 108.366 -175.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -83.64 76.17 9.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.378 -1.283 . . . . 2.85 111.895 -170.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.59 -47.39 0.93 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.149 -1.024 . . . . 2.42 112.693 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -83.94 138.8 32.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.047 0.451 . . . . 3.28 110.378 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -88.76 179.24 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.768 -0.827 . . . . 1.96 108.768 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 83' ' ' LEU . 29.1 tp -55.84 -47.04 77.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.6 110.813 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.34 88.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.63 111.65 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.11 -44.22 91.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 2.3 109.605 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.56 -52.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.61 111.264 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.8 mp -65.74 -29.36 69.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.83 111.577 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.33 -22.36 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.958 0.409 . . . . 1.83 110.186 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -82.98 -26.82 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 1.5 110.096 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.53 137.35 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 1.71 109.855 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.688 ' HG ' ' N ' ' B' ' 14' ' ' MET . 50.9 m -152.74 148.98 27.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.046 0.45 . . . . 3.09 111.758 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -141.3 120.16 12.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.713 -0.676 . . . . 5.55 110.128 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.616 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 38.7 t -76.86 123.45 87.46 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.713 . . . . 3.58 110.941 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 24.5 Cg_exo -63.24 109.03 0.89 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.743 2.295 . . . . 3.95 111.572 176.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -142.33 122.27 13.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.265 -0.425 . . . . 5.08 110.419 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.646 -0.692 . . . . 4.12 110.142 178.8 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.688 ' N ' ' HG ' ' A' ' 87' ' ' SER . 27.0 ptm . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.79 0.328 . . . . 6.44 110.792 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 25.1 mmt -103.5 1.43 32.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.572 -0.285 . . . . 4.73 110.355 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m 75.37 135.68 0.06 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.304 1.003 . . . . 2.01 110.942 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.35 79.5 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.952 -0.567 . . . . 1.09 110.753 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 150.72 39.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.98 -0.554 . . . . 1.33 110.271 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.72 -46.67 74.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.761 0.652 . . . . 2.1 112.761 -169.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.07 -31.63 72.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.636 0.255 . . . . 1.58 111.152 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.02 -42.33 80.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.49 0.662 . . . . 1.54 109.443 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.461 ' O ' HG13 ' B' ' 26' ' ' ILE . 93.8 mt -64.2 -46.48 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.951 -1.022 . . . . 0.44 110.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.11 69.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.2 110.929 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.45 92.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.31 111.027 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' B' ' 74' ' ' PHE . 49.0 mt -68.94 -37.08 78.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.948 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 22' ' ' ILE . 80.7 mt -64.97 -52.32 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.27 111.009 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.696 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.0 m -65.75 -32.17 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.454 -0.339 . . . . 0.23 110.732 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.97 -40.48 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 1.58 110.282 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.519 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.7 t80 -63.43 -45.13 92.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 1.25 110.408 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 15.3 m-30 -59.37 -40.65 87.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 1.22 110.318 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 47.0 m -67.99 -28.63 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.879 -0.6 . . . . 1.15 110.542 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.37 -33.02 66.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.42 -0.355 . . . . 0.99 110.271 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.1 mt -64.44 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.44 110.526 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.44 -20.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.496 -0.32 . . . . 0.47 110.539 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -67.73 -50.76 55.7 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.734 -0.469 . . . . 2.22 109.734 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -16.36 59.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.442 0.639 . . . . 2.08 110.044 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 56.26 52.57 10.0 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.195 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.08 -13.33 26.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.768 0.794 . . . . 2.11 109.088 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.0 tt -100.96 149.42 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.52 110.04 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -83.44 168.94 16.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.588 -0.278 . . . . 1.82 110.52 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 41' ' ' GLU . 1.8 mp0 -50.79 -52.05 44.71 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.767 0.654 . . . . 2.19 112.767 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.16 -45.41 91.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.769 0.319 . . . . 2.29 111.019 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.62 99.33 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.835 -0.698 . . . . 0.39 111.978 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.62 88.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.32 . . . . 0.38 110.645 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.113 0.482 . . . . 1.84 110.56 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -62.19 -37.14 84.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.791 -0.64 . . . . 0.98 110.365 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -72.54 -27.81 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.616 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.55 -49.2 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.459 -0.337 . . . . 0.48 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.86 -38.28 81.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.966 0.412 . . . . 0.36 110.164 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.521 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.18 -32.14 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.37 110.55 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.696 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.7 tpp -57.57 -49.34 76.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.888 -0.597 . . . . 0.65 110.704 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -64.82 -40.33 95.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 1.99 110.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.6 m -60.58 -49.82 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.541 -0.754 . . . . 1.05 111.125 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.1 mt -61.15 -46.7 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.33 110.439 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 40.4 m -57.1 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.8 111.265 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.28 -28.57 63.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.628 -0.26 . . . . 2.66 111.15 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.44 73.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.41 111.253 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.25 -21.67 33.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 1.24 111.073 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.4 42.01 4.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.852 -0.69 . . . . 0.42 113.113 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 24.5 p90 -137.57 155.2 49.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.943 0.372 . . . . 1.23 110.059 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.83 145.4 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.184 -0.462 . . . . 2.33 110.359 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.449 ' O ' HG12 ' B' ' 65' ' ' VAL . 14.3 ttm180 -65.05 -21.47 66.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.511 -0.768 . . . . 3.67 111.114 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 0.68 55.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.929 0.395 . . . . 3.19 110.918 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.25 0.13 24.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.66 111.358 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.449 HG12 ' O ' ' B' ' 62' ' ' ARG . 2.9 p -60.23 -42.38 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.686 -0.234 . . . . 0.53 111.262 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -65.8 -29.22 69.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.179 0.514 . . . . 1.63 110.079 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.56 37.17 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.877 -0.601 . . . . 0.74 112.04 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.2 -41.54 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.392 . . . . 0.7 110.92 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.33 -2.92 27.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.171 0.51 . . . . 1.13 111.274 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.44 24.84 5.51 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.341 -1.104 . . . . 1.24 110.341 173.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -108.91 -64.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.225 -0.487 . . . . 3.15 110.546 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.7 m -87.16 -73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.917 0.389 . . . . 2.02 110.551 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' HA ' ' A' ' 87' ' ' SER . 15.0 pt-20 -160.5 -151.68 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.987 -0.551 . . . . 2.64 109.618 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.437 ' CG ' HD11 ' B' ' 25' ' ' LEU . 49.2 m-85 66.24 40.96 3.6 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.421 -0.955 . . . . 1.7 108.421 -175.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -83.57 76.07 9.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.377 -1.283 . . . . 2.85 111.972 -170.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.52 -47.16 0.94 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.143 -1.027 . . . . 2.43 112.734 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -84.07 138.7 32.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.974 0.416 . . . . 3.28 110.386 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -88.61 179.3 6.29 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.754 -0.832 . . . . 1.95 108.754 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 83' ' ' LEU . 29.1 tp -55.96 -47.16 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.4 . . . . 0.6 110.702 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.43 89.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.208 -0.451 . . . . 0.63 111.669 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.05 -44.14 91.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.37 0.605 . . . . 2.3 109.652 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.65 -52.95 54.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.962 -1.017 . . . . 0.61 111.234 177.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.8 mp -65.57 -29.41 70.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.042 -0.526 . . . . 0.83 111.597 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.37 -22.21 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.09 0.471 . . . . 1.83 110.24 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -26.88 30.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 1.5 110.05 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.59 137.27 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 1.7 109.853 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.706 ' HG ' ' N ' ' A' ' 14' ' ' MET . 50.5 m -152.57 149.13 28.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.949 0.404 . . . . 3.09 111.63 -176.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -141.33 120.2 12.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 5.55 110.122 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.563 ' HA ' ' SD ' ' A' ' 14' ' ' MET . 39.4 t -77.15 123.3 87.17 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 3.58 110.896 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.18 108.86 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.709 2.273 . . . . 3.95 111.704 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -141.97 122.34 14.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.174 -0.466 . . . . 5.08 110.368 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.826 -0.607 . . . . 4.13 110.28 178.758 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.4 ttp . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.441 0.163 . . . . 6.45 110.726 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.4 mmt -64.4 -76.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.568 -0.287 . . . . 4.73 110.97 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -161.12 173.44 15.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.993 -0.373 . . . . 2.01 109.993 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.14 86.15 1.69 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.494 -0.775 . . . . 1.09 109.605 177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -72.09 159.11 34.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.802 -0.636 . . . . 1.32 109.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 36.3 mtmm -50.52 -49.35 55.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.581 0.229 . . . . 2.1 111.539 -176.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.05 -33.64 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 1.57 111.466 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 72' ' ' SER . 51.1 mt-10 -68.71 -41.09 79.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.22 0.533 . . . . 1.54 110.212 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.6 mt -68.55 -47.17 78.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.544 -0.753 . . . . 0.44 110.538 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.76 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.2 110.839 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.83 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.31 110.587 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -65.51 -36.74 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.46 111.177 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 22' ' ' ILE . 71.7 mt -61.59 -51.16 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.875 -0.602 . . . . 0.27 110.934 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.59 -30.78 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.889 -0.324 . . . . 0.24 110.659 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 78' ' ' HIS . 17.5 t-20 -60.93 -45.47 94.56 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.245 -0.434 . . . . 1.59 110.632 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.2 t80 -60.15 -51.33 70.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 1.25 110.628 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.39 -39.64 91.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.363 -0.381 . . . . 1.22 110.726 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -60.63 -41.9 95.81 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.15 110.364 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.8 t -65.23 -37.14 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.77 0.319 . . . . 0.99 110.41 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' TYR . 65.4 mt -63.19 -45.95 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.416 . . . . 0.43 111.035 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.14 -24.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.47 111.273 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.14 -51.24 59.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 2.22 110.086 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -77.84 -11.91 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.558 0.694 . . . . 2.08 110.27 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp 58.25 53.77 6.25 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.113 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.77 -26.98 21.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.656 0.741 . . . . 2.12 109.476 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.522 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.4 tt -88.95 156.73 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 114.952 -1.022 . . . . 0.51 110.58 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.59 167.33 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.406 -0.361 . . . . 1.82 110.889 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -57.68 -54.38 47.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.625 -0.262 . . . . 2.19 111.52 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.21 -38.82 87.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 2.3 110.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.55 99.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.882 -0.675 . . . . 0.39 112.043 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.64 91.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.38 110.674 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.05 -37.02 83.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.907 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -64.15 -41.5 97.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 0.98 110.151 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.75 -29.78 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.123 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.37 -60.15 3.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.48 110.809 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.6 -36.83 76.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.944 0.402 . . . . 0.36 110.71 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.92 -35.08 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.37 110.679 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.474 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 11.6 ttm -70.76 -38.59 73.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.213 -0.449 . . . . 0.65 110.984 -176.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.64 -40.51 95.13 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.34 -0.615 . . . . 1.99 109.34 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 78.1 m -60.26 -51.56 69.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.354 -0.839 . . . . 1.05 110.791 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 50' ' ' ALA . 55.1 mt -55.85 -53.23 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.201 0.524 . . . . 0.34 110.449 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 17.9 m -59.62 -51.55 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.495 -0.775 . . . . 0.8 111.689 -175.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.56 -35.78 75.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.404 -0.362 . . . . 2.66 111.13 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.33 -41.8 93.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.447 -0.342 . . . . 0.42 111.363 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 44.1 m-85 -82.55 -29.49 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.884 0.373 . . . . 1.24 111.294 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.32 37.35 3.83 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.771 -0.728 . . . . 0.43 113.055 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' SER . 27.7 p90 -138.98 159.48 42.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.623 -0.51 . . . . 1.22 109.623 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -103.04 154.53 19.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.305 0.574 . . . . 2.33 110.754 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 65' ' ' VAL . 80.4 mtm180 -64.71 -18.49 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.198 -0.91 . . . . 3.67 112.614 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.64 -7.28 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 3.2 110.832 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -96.98 -2.93 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.838 0.351 . . . . 0.67 111.224 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 p -57.62 -44.41 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.977 -0.556 . . . . 0.54 111.86 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -65.27 -35.56 81.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 1.63 111.004 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.06 -37.0 82.11 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.019 -0.61 . . . . 0.76 111.973 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.1 mt -66.54 -43.99 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.71 110.241 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 95.2 mt -63.65 -41.73 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.816 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.27 -25.77 67.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.069 -0.586 . . . . 1.25 113.091 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -94.61 0.11 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.723 -0.281 . . . . 3.16 111.426 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 21.9 p -119.56 -173.56 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.299 0.481 . . . . 2.02 112.299 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' B' ' 87' ' ' SER . 6.8 mm-40 -66.14 -19.32 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.64 111.458 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.3 m-85 -84.81 -28.9 25.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.606 -0.724 . . . . 1.7 111.342 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' HD2' ' B' ' 90' ' ' PRO . 74.8 mmtt 69.15 -64.13 0.34 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.642 0.777 . . . . 2.85 112.475 173.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 176.98 34.55 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.792 -0.718 . . . . 2.42 112.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -110.06 169.36 8.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.962 -0.384 . . . . 3.28 109.962 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 84.1 m-70 -84.27 149.6 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.518 -0.31 . . . . 1.96 110.512 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.422 HD11 HD11 ' B' ' 79' ' ' LEU . 60.3 tp -55.16 -38.05 67.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.805 -0.634 . . . . 0.6 111.022 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.41 84.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.829 -0.623 . . . . 0.63 112.013 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 7.0 m-20 -58.08 -40.44 81.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.494 0.664 . . . . 2.3 109.818 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.24 -53.53 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.009 -0.996 . . . . 0.61 111.075 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.24 -33.31 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.164 0.431 . . . . 0.83 112.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -62.26 -40.46 96.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.332 0.587 . . . . 1.83 110.176 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.1 -42.56 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.5 110.919 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 145.63 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 1.71 111.496 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' B' ' 73' ' ' GLU . 12.0 p -159.02 127.31 5.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.569 . . . . 3.09 110.324 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -133.75 143.35 48.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.197 -0.456 . . . . 5.55 109.841 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.14 84.45 57.33 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 3.58 110.741 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.2 82.39 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.838 2.358 . . . . 3.95 110.837 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.7 111.18 1.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.909 -0.587 . . . . 5.08 111.676 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.5 p . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.626 -0.702 . . . . 4.12 109.697 177.102 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.9 ttp . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.464 0.173 . . . . 6.44 110.789 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.34 -76.68 0.07 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.567 -0.288 . . . . 4.73 110.998 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.6 m -160.7 173.71 15.03 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.062 -0.348 . . . . 2.01 110.062 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 86.08 1.67 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.552 -0.749 . . . . 1.09 109.636 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.2 t -72.13 159.31 34.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.605 . . . . 1.33 109.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' B' ' 58' ' ' PHE . 36.3 mtmm -50.72 -49.16 58.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.639 0.257 . . . . 2.1 111.631 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.1 -33.64 76.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.426 -0.352 . . . . 1.58 111.498 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' B' ' 72' ' ' SER . 51.5 mt-10 -68.81 -41.2 78.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.314 0.578 . . . . 1.54 110.18 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.4 mt -68.32 -47.31 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.44 110.48 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.78 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.2 110.82 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.85 74.81 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.31 110.584 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.445 HD11 ' CD1' ' B' ' 74' ' ' PHE . 17.1 mt -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.46 111.134 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 22' ' ' ILE . 71.9 mt -61.48 -51.26 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.001 -0.545 . . . . 0.27 110.956 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.48 -30.86 44.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.987 -0.285 . . . . 0.23 110.66 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' B' ' 78' ' ' HIS . 17.3 t-20 -60.95 -45.43 94.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.643 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.468 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.3 t80 -60.13 -51.29 70.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.567 . . . . 1.25 110.673 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.6 -39.54 91.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 1.22 110.694 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -60.5 -41.99 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.15 110.395 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 14.0 t -65.12 -37.2 86.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.99 110.412 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.7 mt -63.3 -45.83 97.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.44 111.131 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.07 -25.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.65 -0.25 . . . . 0.47 111.219 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.05 -51.29 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 2.22 110.065 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.2 OUTLIER -77.95 -11.66 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.524 0.678 . . . . 2.08 110.216 178.141 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp 57.89 53.88 6.57 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 114.248 -1.342 . . . . 2.6 111.204 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.87 -27.03 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.771 0.796 . . . . 2.11 109.543 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -88.85 156.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.52 110.436 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.47 167.09 17.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.4 -0.364 . . . . 1.82 110.997 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.88 -53.79 54.19 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 111.588 0.218 . . . . 2.19 111.588 -173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.53 -38.92 89.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.488 -0.323 . . . . 2.29 110.721 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.15 -43.66 99.13 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.881 -0.676 . . . . 0.39 112.01 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.62 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.38 110.623 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.17 -36.84 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.882 -0.599 . . . . 1.84 110.881 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.5 m -64.24 -41.45 96.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.179 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.77 -29.84 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.41 111.099 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.32 -60.27 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.454 -0.339 . . . . 0.48 110.729 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.49 -36.92 77.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.97 0.414 . . . . 0.36 110.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.0 -34.89 78.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.37 110.801 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 11.4 ttm -70.66 -38.73 73.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.156 -0.475 . . . . 0.65 111.076 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.58 -40.57 95.22 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.299 -0.63 . . . . 1.99 109.299 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 78.0 m -60.23 -51.55 69.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 1.05 110.814 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.9 mt -55.68 -53.36 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.177 0.513 . . . . 0.33 110.497 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.0 m -59.53 -51.62 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.458 -0.792 . . . . 0.8 111.627 -175.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.63 -35.77 75.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 2.66 111.173 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.21 -41.95 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.41 111.425 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' B' ' 19' ' ' LYS . 44.5 m-85 -81.98 -30.52 31.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 1.24 111.177 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 38.09 3.56 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.741 -0.742 . . . . 0.42 112.861 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 55' ' ' SER . 27.6 p90 -139.53 159.43 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.622 -0.51 . . . . 1.23 109.622 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -103.06 154.48 19.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.13 0.491 . . . . 2.33 110.768 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -64.92 -18.18 65.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.282 -0.872 . . . . 3.67 112.587 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -90.63 -7.58 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.95 0.405 . . . . 3.19 110.75 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.433 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -96.75 -2.8 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.287 -0.415 . . . . 0.66 111.14 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 3.2 p -57.97 -44.42 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.53 111.871 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -65.33 -35.57 81.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.799 0.333 . . . . 1.63 111.036 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.85 -36.67 82.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.929 -0.653 . . . . 0.74 111.957 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 64' ' ' ALA . 73.8 mt -66.95 -44.09 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.7 110.289 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 95.0 mt -63.5 -41.66 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.735 -0.666 . . . . 1.13 110.857 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.45 -25.66 67.22 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.132 -0.556 . . . . 1.24 112.971 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -94.66 0.37 55.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.711 -0.287 . . . . 3.15 111.563 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.421 ' HB3' ' OE2' ' B' ' 21' ' ' GLU . 22.2 p -119.88 -173.5 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.244 0.461 . . . . 2.02 112.244 -174.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 87' ' ' SER . 6.9 mm-40 -66.16 -19.34 65.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.687 -0.688 . . . . 2.64 111.502 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.445 ' CD1' HD11 ' B' ' 25' ' ' LEU . 6.3 m-85 -84.76 -28.96 25.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.66 -0.7 . . . . 1.7 111.352 -170.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 69.08 -64.08 0.34 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.878 0.736 . . . . 2.85 112.552 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 176.94 34.55 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.819 -0.705 . . . . 2.43 112.254 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -110.04 169.41 8.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.969 -0.382 . . . . 3.28 109.969 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.552 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 84.2 m-70 -84.33 149.48 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.777 0.323 . . . . 1.95 110.476 -177.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 60.2 tp -55.05 -38.01 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.65 . . . . 0.6 111.155 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.38 84.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.765 -0.652 . . . . 0.63 112.009 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 6.9 m-20 -58.15 -40.67 81.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.58 0.705 . . . . 2.3 109.764 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.92 -53.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.967 -1.015 . . . . 0.61 111.067 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.45 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.109 0.411 . . . . 0.83 112.109 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.23 -40.84 97.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.368 0.604 . . . . 1.83 110.106 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -77.73 -42.39 34.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.417 -0.811 . . . . 1.5 111.039 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.39 145.54 53.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 1.7 111.525 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 73' ' ' GLU . 12.5 p -159.08 127.36 5.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.995 -0.548 . . . . 3.09 110.284 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -133.63 143.45 48.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.478 . . . . 5.55 109.861 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.28 84.62 56.22 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.754 0.311 . . . . 3.58 110.711 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 75' ' ' LYS . 6.1 Cg_exo -79.37 82.56 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.94 2.427 . . . . 3.95 110.797 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -60.79 111.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.657 -0.701 . . . . 5.08 111.599 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.409 -0.805 . . . . 4.13 109.601 177.051 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.416 -0.216 . . . . 6.45 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.8 mtt 63.16 20.57 12.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.635 0.731 . . . . 4.73 111.111 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -78.47 -14.68 59.25 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.104 -0.953 . . . . 2.01 109.716 175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' B' ' 80' ' ' ALA . . . 61.34 58.98 2.02 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 114.34 -1.3 . . . . 1.09 111.236 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.7 t -65.5 145.58 55.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.806 -0.813 . . . . 1.32 108.806 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -53.83 -42.81 68.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.703 0.287 . . . . 2.1 111.334 -169.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.5 -30.43 70.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.078 -0.51 . . . . 1.57 111.562 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 56.7 mt-10 -68.98 -37.28 78.67 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.182 0.515 . . . . 1.54 110.616 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.0 mt -68.04 -50.41 59.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.7 -0.682 . . . . 0.44 109.79 178.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.61 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.477 -0.783 . . . . 0.2 110.794 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -55.91 -51.42 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.31 110.947 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 74' ' ' PHE . 49.5 mt -69.08 -34.87 75.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.727 0.299 . . . . 0.46 110.906 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 22' ' ' ILE . 63.4 mt -60.13 -52.2 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.27 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.79 -30.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.637 0.256 . . . . 0.24 110.802 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.98 -41.84 98.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.036 0.446 . . . . 1.59 109.947 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 53.9 t80 -63.68 -48.92 75.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.98 -0.555 . . . . 1.25 110.743 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.73 -41.05 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 1.22 110.841 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 t -66.38 -35.34 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.394 -0.366 . . . . 1.15 110.084 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -64.64 -31.95 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.99 110.569 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 56.2 mt -63.26 -49.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.43 110.564 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.66 -23.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 0.47 110.81 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -38.94 80.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.928 -0.578 . . . . 2.22 110.99 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -102.04 2.76 38.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 2.08 110.927 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.79 57.84 5.67 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.262 -0.881 . . . . 2.6 110.302 -174.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.35 -32.78 24.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.947 0.879 . . . . 2.12 109.195 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.5 tt -103.63 155.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.515 -1.221 . . . . 0.51 110.613 -173.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 t -81.38 179.44 7.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.197 -0.456 . . . . 1.82 110.64 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -58.79 -50.67 73.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.096 -0.502 . . . . 2.19 111.731 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.47 -47.7 78.66 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.923 0.392 . . . . 2.3 110.99 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -65.38 -43.54 94.83 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.264 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.48 89.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.38 110.854 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -39.57 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 1.84 111.363 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 p -69.87 -31.88 69.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.831 0.348 . . . . 0.98 110.662 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 63.8 mt -67.29 -27.12 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.41 110.593 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.5 m120 -68.13 -49.06 63.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.434 -0.348 . . . . 0.48 111.027 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.15 -33.8 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.971 0.415 . . . . 0.36 110.173 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -67.8 -32.91 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.37 110.657 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 tpp -57.85 -52.04 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.714 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.05 -27.92 69.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.036 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.73 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.417 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.3 mt -64.11 -48.83 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.34 110.678 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.549 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 29.7 p -61.95 -49.17 77.2 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.05 -0.523 . . . . 0.8 111.308 -176.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.69 -22.89 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 2.66 110.886 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -70.73 -47.37 60.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.489 . . . . 0.42 111.309 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 77.1 m-85 -86.97 -27.27 23.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 1.24 111.975 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.28 31.56 4.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.286 -0.959 . . . . 0.43 113.322 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' SER . 41.4 p90 -138.16 149.19 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 1.22 109.197 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -85.77 159.64 19.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.032 -0.267 . . . . 2.33 110.596 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.675 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.5 ttp180 -54.81 -48.81 72.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.726 0.298 . . . . 3.67 111.153 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.0 -8.7 51.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.932 0.345 . . . . 3.2 111.932 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.59 -12.34 48.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.472 0.177 . . . . 0.67 111.444 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 62' ' ' ARG . 11.4 p -65.26 -30.9 51.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.895 0.378 . . . . 0.54 110.907 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -61.74 -40.89 96.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 1.63 110.331 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.95 -36.99 87.45 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.953 -0.642 . . . . 0.76 111.99 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.97 -48.87 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.432 . . . . 0.71 110.095 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 86.2 mt -73.79 0.78 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.949 -0.569 . . . . 1.14 111.597 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.72 -44.4 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 1.25 111.242 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -84.57 -41.87 16.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.84 -0.18 . . . . 3.16 111.44 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.2 m -67.42 151.82 46.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.565 . . . . 2.02 111.692 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' B' ' 88' ' ' ARG . 7.3 mm-40 -71.32 -13.92 62.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.259 -0.882 . . . . 2.64 111.039 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.616 ' CE1' ' HB3' ' B' ' 83' ' ' LEU . 64.7 m-85 -73.21 -51.07 19.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.877 -0.602 . . . . 1.7 110.428 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 24.3 mtpp 61.83 -169.64 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.414 -0.812 . . . . 2.85 111.416 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' HA2' HD13 ' A' ' 69' ' ' LEU . . . -63.23 -86.7 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.103 -0.57 . . . . 2.42 112.669 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 52.87 -157.88 0.15 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.179 0.514 . . . . 3.28 111.103 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -128.4 125.68 39.08 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.158 -0.682 . . . . 1.96 109.158 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' LEU . 61.3 tp -55.59 -33.04 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.164 -0.925 . . . . 0.6 111.6 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 17' ' ' ALA . . . -63.93 -48.73 75.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.282 -0.417 . . . . 0.63 111.312 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.51 -41.09 96.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.252 0.548 . . . . 2.3 110.18 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.58 -47.29 82.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.052 -0.976 . . . . 0.61 110.769 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' CE1' ' B' ' 74' ' ' PHE . 5.9 mp -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.769 -0.651 . . . . 0.83 111.176 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.81 -13.52 61.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.854 0.359 . . . . 1.83 111.273 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.5 m -82.24 -9.31 59.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.293 -0.412 . . . . 1.5 110.911 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.76 -174.09 4.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 1.71 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 p -153.46 155.51 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 3.09 110.784 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.481 ' O ' ' HD3' ' A' ' 90' ' ' PRO . 13.9 ptm180 -96.0 151.5 19.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 5.55 110.104 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.0 t -107.18 93.69 9.84 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 109.258 -0.645 . . . . 3.58 109.258 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 64.3 Cg_endo -92.77 119.71 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.799 2.333 . . . . 3.95 113.61 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -88.54 26.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 5.08 110.017 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.5 -0.762 . . . . 4.12 110.151 -179.501 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.601 0.238 . . . . 6.44 110.396 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 67.0 mtt 63.13 20.56 12.35 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.526 0.679 . . . . 4.73 111.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -77.96 -15.39 59.02 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.033 -0.985 . . . . 2.01 109.662 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 80' ' ' ALA . . . 61.55 59.18 1.9 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 114.393 -1.276 . . . . 1.09 111.21 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 36.6 t -65.62 145.34 56.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.791 -0.818 . . . . 1.33 108.791 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -53.67 -42.68 68.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.65 0.262 . . . . 2.1 111.371 -169.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.61 -30.5 70.8 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.522 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 56.5 mt-10 -68.85 -37.36 79.08 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.192 0.52 . . . . 1.54 110.594 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.523 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.8 mt -67.98 -50.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.681 -0.69 . . . . 0.44 109.794 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.64 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.2 110.751 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -55.8 -51.57 67.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.31 110.921 176.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 74' ' ' PHE . 50.8 mt -68.86 -34.93 76.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.307 . . . . 0.46 110.969 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 22' ' ' ILE . 63.5 mt -60.12 -52.26 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.27 110.93 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.75 -30.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 121.082 -0.247 . . . . 0.23 110.766 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.13 -41.86 98.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.886 -0.413 . . . . 1.58 109.886 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.4 t80 -63.56 -48.99 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 1.25 110.776 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -59.78 -40.93 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 1.22 110.853 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 t -66.5 -35.19 79.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.367 -0.379 . . . . 1.15 110.177 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.9 t -64.74 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.99 110.499 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 29' ' ' TYR . 55.8 mt -63.2 -49.76 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.613 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.68 -23.75 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.852 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.96 -39.17 80.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.971 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -101.83 2.9 38.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 2.08 110.904 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.55 58.07 5.53 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.297 -0.865 . . . . 2.6 110.329 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.65 -32.39 23.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.999 0.904 . . . . 2.11 109.197 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -103.8 155.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.528 -1.214 . . . . 0.52 110.679 -173.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 t -81.11 179.33 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.084 -0.507 . . . . 1.82 110.815 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -58.82 -50.71 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.759 -171.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.41 -47.8 78.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 2.29 110.979 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.467 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -65.24 -43.66 94.98 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.899 -0.667 . . . . 0.39 112.26 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.47 89.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.38 110.79 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.88 -39.43 87.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 1.84 111.328 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.5 p -70.0 -31.67 69.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.98 110.601 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 64.0 mt -67.6 -26.94 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.29 . . . . 0.41 110.596 174.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.08 -49.13 63.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.471 -0.331 . . . . 0.48 111.047 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.95 -34.01 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.36 110.216 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.553 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -67.71 -33.01 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.37 110.567 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.4 tpp -57.83 -52.04 67.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.65 110.663 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.03 -27.97 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.99 111.066 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.67 -45.52 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 1.05 110.398 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.2 mt -63.94 -48.9 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.42 . . . . 0.33 110.73 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.546 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 29.0 p -61.97 -49.07 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.8 111.306 -176.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -68.87 -22.68 64.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 2.66 110.922 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.82 -47.34 59.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.064 -0.517 . . . . 0.41 111.356 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 77.0 m-85 -87.03 -27.09 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.103 0.409 . . . . 1.24 112.103 -174.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.57 4.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.272 -0.966 . . . . 0.42 113.402 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' B' ' 55' ' ' SER . 41.2 p90 -138.2 149.23 45.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.252 -0.648 . . . . 1.23 109.252 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -85.87 159.51 19.67 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 121.13 -0.228 . . . . 2.33 110.557 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.674 ' O ' HG12 ' B' ' 65' ' ' VAL . 46.4 ttp180 -54.63 -49.12 71.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.564 0.221 . . . . 3.67 111.076 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.87 -8.5 49.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.015 0.376 . . . . 3.19 112.015 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.65 -12.49 48.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.537 0.199 . . . . 0.66 111.537 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.2 p -65.15 -30.98 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.53 110.734 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.0 t -61.72 -40.71 96.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 1.63 110.367 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.05 86.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.943 -0.646 . . . . 0.74 111.941 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.85 -48.89 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.7 110.14 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' B' ' 75' ' ' LYS . 86.1 mt -73.95 0.97 11.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 1.13 111.569 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 -44.38 4.85 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.524 -0.846 . . . . 1.24 111.181 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -84.6 -41.93 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.197 . . . . 3.15 111.407 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -67.43 151.85 46.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.179 0.514 . . . . 2.02 111.706 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 7.3 mm-40 -71.23 -14.07 62.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.337 -0.847 . . . . 2.64 111.043 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 64.6 m-85 -73.05 -51.05 19.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.902 -0.59 . . . . 1.7 110.482 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 24.4 mtpp 61.84 -169.66 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.42 -0.809 . . . . 2.85 111.462 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.434 ' HA2' HD13 ' B' ' 69' ' ' LEU . . . -63.18 -86.73 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.063 -0.589 . . . . 2.43 112.593 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 52.82 -157.96 0.15 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.284 0.564 . . . . 3.28 111.138 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -128.33 125.65 39.17 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.267 -0.642 . . . . 1.95 109.267 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' B' ' 25' ' ' LEU . 61.5 tp -55.57 -33.07 63.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.173 -0.922 . . . . 0.6 111.563 -174.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' A' ' 17' ' ' ALA . . . -63.87 -48.77 75.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.273 -0.421 . . . . 0.63 111.305 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.35 -41.28 96.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.497 0.665 . . . . 2.3 110.252 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.47 -47.24 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.845 -1.07 . . . . 0.61 110.697 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.616 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 5.8 mp -68.06 -34.89 77.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.615 . . . . 0.83 111.191 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.77 -14.14 62.27 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.88 0.372 . . . . 1.83 111.205 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -82.17 -7.96 59.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.201 -0.454 . . . . 1.5 111.076 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.67 -174.05 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 1.7 110.894 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -153.26 155.76 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 3.09 110.708 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.494 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 13.9 ptm180 -96.12 151.54 19.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.125 -0.324 . . . . 5.55 110.125 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.21 93.78 10.05 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.22 -0.659 . . . . 3.58 109.22 174.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 64.3 Cg_endo -92.7 119.77 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.83 2.354 . . . . 3.95 113.591 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.69 26.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.289 0.566 . . . . 5.08 110.027 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.473 -0.775 . . . . 4.13 110.063 -179.556 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.001 0.429 . . . . 6.45 110.666 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.6 mtm -58.05 -55.02 40.33 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.023 -0.535 . . . . 4.73 112.353 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -136.06 159.57 41.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.198 0.523 . . . . 2.01 111.02 -174.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.85 69.5 1.48 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.035 -0.984 . . . . 1.09 109.65 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 23.3 t -76.19 162.64 27.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.785 -0.643 . . . . 1.32 110.182 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.01 -51.72 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.771 0.319 . . . . 2.1 111.254 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.36 -29.65 70.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.57 111.476 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HG21 ' A' ' 68' ' ' ILE . 52.0 mt-10 -67.46 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 1.54 110.103 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 26' ' ' ILE . 43.8 mt -65.5 -48.18 83.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.282 -0.872 . . . . 0.44 110.001 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -30.12 69.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.448 -0.796 . . . . 0.2 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -52.77 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.31 111.058 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 79' ' ' LEU . 33.4 mt -67.66 -34.23 76.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.998 -0.281 . . . . 0.46 110.926 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.6 mt -61.5 -53.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.979 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.3 -32.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 121.136 -0.226 . . . . 0.24 110.949 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.42 -39.55 94.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.59 110.441 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 33' ' ' ILE . 51.2 t80 -60.93 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.558 -0.292 . . . . 1.25 110.404 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -38.44 86.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.866 0.365 . . . . 1.22 110.375 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.93 -40.56 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 1.15 110.085 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 m -64.22 -34.12 77.37 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.98 0.419 . . . . 0.99 110.702 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 60.7 mt -65.72 -50.98 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.874 -0.603 . . . . 0.43 110.939 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.06 -21.19 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.616 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.83 -59.21 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 2.22 110.874 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' A' ' 38' ' ' GLU . 21.6 pttm -96.19 12.31 31.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.551 . . . . 2.08 111.522 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.5 64.66 1.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.937 -1.029 . . . . 2.6 111.702 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 27.7 mm-40 -93.97 -14.19 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.514 0.673 . . . . 2.12 109.903 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.1 tt -113.35 167.36 6.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.22 -0.9 . . . . 0.51 109.835 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 p -69.77 163.13 26.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.769 -0.196 . . . . 1.82 110.495 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.25 -46.45 88.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 2.19 110.442 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.16 -44.47 92.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 2.3 110.527 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -37.31 94.44 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.872 -0.68 . . . . 0.39 112.197 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.12 96.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.642 0.258 . . . . 0.38 110.776 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.3 -37.21 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.84 110.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.3 -40.09 93.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.955 -0.566 . . . . 0.98 110.031 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.36 -27.11 68.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.361 -0.381 . . . . 0.41 111.182 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.68 -53.53 45.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.48 110.826 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.52 -34.13 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.893 0.378 . . . . 0.36 110.238 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.662 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -60.33 -44.78 95.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.37 110.547 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.0 ttm -65.94 -35.98 82.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.65 111.345 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.38 -42.41 98.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.283 -0.636 . . . . 1.99 109.283 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.5 -38.47 77.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.249 -0.887 . . . . 1.05 111.265 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 50' ' ' ALA . 54.8 mt -59.1 -50.0 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.25 0.548 . . . . 0.34 109.756 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 14.2 m -63.34 -41.63 98.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.79 . . . . 0.8 110.669 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.36 -43.19 91.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.505 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.5 86.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.42 111.663 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.99 -20.31 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 1.24 111.454 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.88 44.57 7.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.43 113.128 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 9.1 p90 -139.36 153.25 47.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.604 -0.351 . . . . 1.22 110.272 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.52 147.88 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 2.33 110.648 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.7 mtt180 -65.48 -17.39 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.533 -0.758 . . . . 3.67 110.628 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 -12.54 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.333 -0.394 . . . . 3.2 110.94 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -83.51 -16.81 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.67 111.253 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.5 p -56.28 -39.3 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.328 -0.396 . . . . 0.54 111.721 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m -61.38 -44.57 96.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 1.63 111.026 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.62 90.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.827 -0.701 . . . . 0.76 112.079 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.9 mt -61.94 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.71 110.759 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.34 -6.79 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 1.14 111.628 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.37 -42.71 2.91 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.516 -0.85 . . . . 1.25 111.685 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.59 -51.22 9.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.881 0.372 . . . . 3.16 111.661 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.11 164.71 25.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.734 0.778 . . . . 2.02 112.485 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.93 -6.76 35.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.468 -1.242 . . . . 2.64 111.574 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -87.0 22.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 1.7 110.421 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.11 56.62 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.534 -0.757 . . . . 2.85 110.952 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.04 -33.67 1.48 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.575 -0.739 . . . . 2.42 111.643 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 13.4 mm-40 68.81 166.87 0.27 Allowed 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.134 0.573 . . . . 3.28 112.015 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.3 m170 57.37 82.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.457 -0.792 . . . . 1.96 110.97 -175.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.3 tp -52.04 -43.52 63.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.433 -0.803 . . . . 0.6 111.265 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.69 91.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.63 111.135 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.7 -40.84 89.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.59 . . . . 2.3 110.21 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.72 -46.12 97.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.187 -0.915 . . . . 0.61 111.535 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' B' ' 83' ' ' LEU . 10.6 mp -69.89 -40.03 75.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.83 111.096 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.04 -21.98 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 1.83 110.522 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -71.22 -22.44 62.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 1.5 110.475 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.43 97.11 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 1.71 109.834 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.9 m -77.57 101.11 6.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.604 . . . . 3.09 110.922 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -102.04 132.96 47.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.849 -0.614 . . . . 5.55 110.627 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -84.41 124.8 73.2 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.854 -0.612 . . . . 3.58 109.87 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.09 70.35 1.76 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.878 2.385 . . . . 3.95 112.24 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.26 149.3 47.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.741 -0.663 . . . . 5.08 110.605 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.731 -0.652 . . . . 4.12 110.071 -179.432 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.911 0.386 . . . . 6.44 110.642 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtm -57.9 -54.99 40.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.979 -0.555 . . . . 4.73 112.394 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -136.42 159.45 41.74 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.159 0.504 . . . . 2.01 111.058 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.74 69.47 1.48 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.965 -1.016 . . . . 1.09 109.708 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.416 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 23.0 t -76.14 162.43 28.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.265 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.97 -51.69 68.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 2.1 111.221 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.34 -29.65 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 1.58 111.617 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HA ' HG21 ' B' ' 68' ' ' ILE . 52.5 mt-10 -67.31 -44.17 79.85 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.608 0.718 . . . . 1.54 110.115 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.512 ' O ' HG13 ' B' ' 26' ' ' ILE . 44.4 mt -65.07 -48.37 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.111 -0.95 . . . . 0.44 109.878 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.17 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.56 -0.745 . . . . 0.2 111.184 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.02 62.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.945 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' B' ' 79' ' ' LEU . 34.0 mt -67.2 -34.32 77.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.738 -0.385 . . . . 0.46 111.109 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 22' ' ' ILE . 61.3 mt -61.47 -53.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.27 111.01 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.24 -32.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.615 0.245 . . . . 0.23 111.062 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -64.3 -39.78 94.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.479 -0.328 . . . . 1.58 110.382 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' B' ' 33' ' ' ILE . 51.0 t80 -60.77 -48.7 80.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.25 110.484 177.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.16 -38.37 86.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 1.22 110.411 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -40.69 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.539 . . . . 1.15 110.102 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.8 m -63.95 -34.59 78.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.108 0.48 . . . . 0.99 110.632 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 60.4 mt -65.39 -50.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.44 110.911 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.31 -20.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.695 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.23 -59.24 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.389 . . . . 2.22 110.808 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' B' ' 38' ' ' GLU . 21.5 pttm -96.26 12.43 31.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.244 0.545 . . . . 2.08 111.518 -177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.62 64.62 1.28 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.915 -1.038 . . . . 2.6 111.689 174.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 29.0 mm-40 -94.04 -14.03 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.414 0.626 . . . . 2.11 109.901 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.1 tt -113.42 167.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.315 -0.857 . . . . 0.52 109.844 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 30.4 p -69.93 163.22 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.523 -0.177 . . . . 1.82 110.523 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.25 -46.71 87.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.829 0.347 . . . . 2.19 110.405 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.98 -44.65 91.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.784 -0.644 . . . . 2.29 110.47 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.4 94.63 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.39 112.167 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.38 110.84 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.28 -37.22 86.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 1.84 110.648 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.22 -40.1 93.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.995 -0.548 . . . . 0.98 109.981 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.52 -26.96 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.41 111.2 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.66 -53.68 43.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 0.48 110.853 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.41 -34.2 67.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.798 -0.361 . . . . 0.36 110.223 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.66 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -60.29 -44.83 95.02 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.37 110.474 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 14.1 ttm -65.83 -36.14 82.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.392 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.7 m -69.33 -38.64 78.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.119 -0.946 . . . . 1.05 111.256 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.2 mt -58.98 -50.01 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.243 0.544 . . . . 0.33 109.778 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.5 m -63.38 -41.68 98.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.441 -0.799 . . . . 0.8 110.614 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.14 -43.69 91.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.655 -0.702 . . . . 2.66 111.349 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.605 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.88 -20.06 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.427 -0.351 . . . . 1.24 111.366 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.93 7.67 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.166 -0.54 . . . . 0.42 113.043 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 9.4 p90 -139.67 153.33 47.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.978 0.389 . . . . 1.23 110.171 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.53 148.04 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 2.33 110.759 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.5 ' O ' HG12 ' B' ' 65' ' ' VAL . 79.0 mtt180 -66.02 -16.54 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.704 . . . . 3.67 110.679 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.17 -12.59 46.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.89 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.467 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -83.51 -16.75 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.339 -0.392 . . . . 0.66 111.279 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.5 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.4 p -56.27 -39.54 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.287 -0.415 . . . . 0.53 111.636 -176.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.3 m -61.21 -44.63 96.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 1.63 111.137 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.47 -39.75 91.22 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.991 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 64' ' ' ALA . 74.7 mt -61.88 -45.47 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.7 110.761 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.6 -6.71 42.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.311 -0.404 . . . . 1.13 111.648 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.36 -42.95 2.85 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.645 -0.788 . . . . 1.24 111.658 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.44 -51.21 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.69 0.281 . . . . 3.15 111.634 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 55.4 m -71.17 164.77 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.584 0.707 . . . . 2.02 112.572 -170.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.96 -6.82 35.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.557 -1.201 . . . . 2.64 111.452 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -86.91 22.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.907 -0.588 . . . . 1.7 110.402 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.26 56.62 1.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 2.85 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.14 -33.58 1.48 Allowed Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.572 -0.74 . . . . 2.43 111.706 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.482 ' OE1' ' HA ' ' B' ' 77' ' ' GLN . 13.5 mm-40 68.83 166.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.191 0.596 . . . . 3.28 112.001 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.2 m170 57.18 82.11 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.506 -0.77 . . . . 1.95 111.001 -175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.469 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.529 -0.76 . . . . 0.6 111.289 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.8 91.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.63 111.183 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.47 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 2.3 110.307 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.75 -46.04 97.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.128 -0.942 . . . . 0.61 111.657 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 83' ' ' LEU . 10.6 mp -69.89 -40.06 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.812 0.339 . . . . 0.83 111.119 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -67.94 -21.96 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.06 0.457 . . . . 1.83 110.476 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -71.27 -22.46 61.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 1.5 110.436 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.45 96.91 1.98 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.105 0.479 . . . . 1.7 109.872 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -77.63 101.12 6.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.902 -0.59 . . . . 3.09 110.943 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -102.07 132.8 47.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.821 -0.627 . . . . 5.55 110.657 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 62.3 t -84.22 124.89 73.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.069 -0.514 . . . . 3.58 109.871 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 12.5 Cg_exo -70.09 70.31 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.819 2.346 . . . . 3.95 112.193 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.09 149.49 47.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 5.08 110.597 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 60.3 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.622 -0.704 . . . . 4.13 110.14 -179.477 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.464 -0.199 . . . . 6.45 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.3 mtm 71.86 148.21 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.028 0.83 . . . . 4.73 112.026 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.3 m 62.68 37.75 12.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.396 -0.82 . . . . 2.01 111.666 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.9 59.88 3.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.347 0.594 . . . . 1.09 110.608 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 t -71.4 142.47 50.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.422 -0.808 . . . . 1.32 109.382 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -56.71 -30.34 63.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.441 -0.8 . . . . 2.1 111.956 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.94 -38.94 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 1.57 110.653 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -69.5 -46.74 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.284 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' ILE . 54.0 mt -60.18 -51.38 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 0.44 110.544 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.42 84.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.2 110.882 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.97 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.31 110.938 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 87.8 mt -66.36 -38.49 87.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.46 110.694 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 22' ' ' ILE . 87.9 mt -63.72 -52.14 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.27 111.227 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.17 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.815 0.34 . . . . 0.24 110.721 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.41 -37.87 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.59 110.168 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' HG13 ' A' ' 33' ' ' ILE . 38.8 t80 -63.91 -49.88 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 1.25 110.492 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.77 -37.42 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.451 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -35.04 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.15 110.127 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -68.68 -33.17 73.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.384 . . . . 0.99 110.288 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 29' ' ' TYR . 51.2 mt -63.1 -45.94 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.43 110.525 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.73 -21.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.432 . . . . 0.47 110.973 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.47 -49.58 73.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.034 0.445 . . . . 2.22 110.113 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 10.1 ptpp? -86.93 -1.94 58.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.347 0.594 . . . . 2.08 110.454 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.59 52.85 13.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.501 -1.227 . . . . 2.6 111.269 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 3.6 tm-20 -84.82 -28.0 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.547 -0.909 . . . . 2.12 108.547 -178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.0 tt -90.9 156.16 3.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.707 -1.133 . . . . 0.51 110.176 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -75.91 166.08 24.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 1.82 110.818 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -52.11 -50.78 60.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.276 0.36 . . . . 2.19 111.839 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.28 -44.77 80.12 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.206 -0.452 . . . . 2.3 110.937 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -68.62 -35.16 80.17 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.68 -0.771 . . . . 0.39 112.181 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.93 81.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.627 0.251 . . . . 0.38 110.922 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.26 -35.22 80.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.157 0.503 . . . . 1.84 110.529 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -65.92 -38.0 87.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.643 -0.708 . . . . 0.98 110.455 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 -26.16 65.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.41 111.178 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -66.33 -55.35 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.499 -0.319 . . . . 0.48 110.746 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.31 -37.99 81.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 110.252 -0.277 . . . . 0.36 110.252 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -58.57 -46.28 87.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.408 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttm -62.3 -41.97 98.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.65 111.473 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.03 -44.08 94.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.084 -0.507 . . . . 1.99 109.753 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 84.4 m -66.79 -38.56 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.507 -0.77 . . . . 1.05 111.515 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 50' ' ' ALA . 61.9 mt -59.95 -51.13 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.265 0.555 . . . . 0.34 109.719 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -63.71 -43.63 95.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.352 -0.84 . . . . 0.8 110.735 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.45 -35.38 79.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.643 . . . . 2.66 110.605 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -70.36 -48.2 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.42 111.788 -176.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.64 -22.9 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 1.24 111.386 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.15 47.66 2.8 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.784 -0.722 . . . . 0.43 112.934 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -143.92 167.26 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.868 -0.419 . . . . 1.22 109.868 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.77 150.32 23.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.009 0.433 . . . . 2.33 110.444 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.28 -19.94 63.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 3.67 110.947 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.17 -7.33 59.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 3.2 110.462 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.0 8.99 24.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.112 -0.494 . . . . 0.67 111.166 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.33 -35.33 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.54 110.331 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 p -68.81 -28.42 66.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 1.63 110.497 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.77 58.14 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.76 111.597 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.84 -49.6 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.737 0.303 . . . . 0.71 110.211 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 83.8 mt -74.03 4.69 5.11 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.178 -0.465 . . . . 1.14 111.702 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.53 -19.61 19.9 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.586 -0.816 . . . . 1.25 111.699 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.97 -14.74 12.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.849 0.357 . . . . 3.16 110.884 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 69' ' ' LEU . 59.1 p -72.26 161.78 30.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 2.02 111.071 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.48 23.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.175 0.512 . . . . 2.64 110.497 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -136.36 32.89 2.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.549 -0.75 . . . . 1.7 109.077 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -74.92 138.89 42.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.48 -0.782 . . . . 2.85 111.256 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.75 18.65 76.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.07 -0.586 . . . . 2.42 112.119 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' B' ' 88' ' ' ARG . 86.7 mm-40 -128.02 162.97 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 3.28 110.805 -176.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -120.58 141.09 50.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.282 -0.417 . . . . 1.96 110.552 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 46.5 tp -52.43 -52.68 52.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.6 111.396 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.614 . . . . 0.63 111.921 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.54 -36.13 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 2.3 109.963 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 74.1 mt -60.18 -51.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 0.61 110.228 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.58 -31.53 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 0.83 111.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.71 -28.78 69.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 1.83 110.848 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t -83.67 -9.84 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.076 -0.511 . . . . 1.5 110.597 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.42 159.84 16.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.71 110.844 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 t -163.52 110.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.404 -0.591 . . . . 3.09 109.404 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -124.23 99.13 6.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.387 -0.369 . . . . 5.55 110.714 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -119.86 85.86 34.92 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.447 -0.342 . . . . 3.58 110.331 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.84 106.65 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.902 2.401 . . . . 3.95 111.459 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.61 120.65 16.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.987 -0.551 . . . . 5.08 109.734 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.521 -0.752 . . . . 4.12 110.344 -176.508 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.399 -0.222 . . . . 6.44 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtm 71.64 148.46 0.08 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 123.738 0.815 . . . . 4.73 112.054 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m 62.36 38.08 13.3 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.306 -0.861 . . . . 2.01 111.642 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.91 59.86 3.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.346 0.593 . . . . 1.09 110.589 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.4 t -71.4 142.35 50.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.577 -0.738 . . . . 1.33 109.362 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.68 -30.3 63.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.459 -0.791 . . . . 2.1 111.863 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 1.58 110.634 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.45 -46.68 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 1.54 110.397 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.467 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.2 mt -60.27 -51.3 74.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.141 -0.936 . . . . 0.44 110.552 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.36 84.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.2 110.99 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.23 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 0.31 110.951 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 87.7 mt -66.42 -38.55 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.46 110.7 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 22' ' ' ILE . 87.7 mt -63.69 -52.16 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.27 111.22 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.28 -33.39 63.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.932 -0.307 . . . . 0.23 110.681 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.42 -38.19 84.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 1.58 110.098 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.554 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.1 t80 -63.62 -49.97 71.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.385 . . . . 1.25 110.515 177.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.71 -37.51 84.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 1.22 110.471 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.15 110.172 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -32.96 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.99 110.43 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 29' ' ' TYR . 50.8 mt -63.32 -45.83 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.381 -0.372 . . . . 0.44 110.507 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.74 -22.03 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.47 110.965 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -49.61 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.22 110.187 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.9 -1.9 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 2.08 110.442 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.64 52.55 13.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.476 -1.238 . . . . 2.6 111.222 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -84.43 -28.22 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.492 -0.929 . . . . 2.11 108.492 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.9 tt -90.89 155.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.733 -1.121 . . . . 0.52 110.265 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -75.45 166.11 24.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.506 -0.316 . . . . 1.82 110.89 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.29 -50.71 61.62 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.319 0.387 . . . . 2.19 111.867 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -56.18 -44.96 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 2.29 110.894 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -68.58 -35.19 80.46 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.716 -0.754 . . . . 0.39 112.153 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.01 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.38 110.978 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.18 -35.29 80.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.116 0.484 . . . . 1.84 110.415 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -66.02 -37.88 87.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.754 -0.657 . . . . 0.98 110.465 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.77 -26.1 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.41 111.112 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.44 -55.33 16.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.32 . . . . 0.48 110.805 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.13 -38.05 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.36 110.227 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.677 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -58.62 -46.11 87.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.37 110.491 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.4 ttm -62.47 -41.89 99.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.65 111.509 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.02 -44.17 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.99 109.731 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 79.0 m -66.63 -38.68 87.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.595 -0.73 . . . . 1.05 111.513 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.677 HG13 ' O ' ' B' ' 50' ' ' ALA . 61.9 mt -59.86 -51.19 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.345 0.593 . . . . 0.33 109.64 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.6 m -63.59 -43.59 96.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.846 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.59 -35.15 78.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 2.66 110.571 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -70.46 -48.22 56.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.41 111.767 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -79.89 -22.6 42.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 1.24 111.375 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.18 47.29 2.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.785 -0.721 . . . . 0.42 112.87 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -143.74 167.1 23.07 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.898 -0.408 . . . . 1.23 109.898 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -102.67 150.29 23.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 2.33 110.389 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -69.46 -19.7 63.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 3.67 110.947 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.14 -7.7 59.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.001 -0.545 . . . . 3.19 110.471 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.69 9.09 25.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.66 111.167 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.41 -35.33 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.53 110.368 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -68.73 -28.57 66.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.976 0.417 . . . . 1.63 110.421 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.09 60.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.555 -0.618 . . . . 0.74 111.555 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.76 -49.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.132 -0.322 . . . . 0.7 110.132 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.423 ' HA ' ' OG ' ' B' ' 72' ' ' SER . 83.8 mt -74.2 5.03 4.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 1.13 111.72 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.67 19.15 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.613 -0.803 . . . . 1.24 111.519 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.84 -14.79 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 3.15 110.873 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' B' ' 69' ' ' LEU . 60.0 p -72.18 161.77 30.41 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.124 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.34 23.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.202 0.525 . . . . 2.64 110.513 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -136.17 32.98 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.099 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.08 138.97 42.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.536 -0.757 . . . . 2.85 111.227 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.5 19.01 75.94 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.91 -0.586 . . . . 2.43 112.121 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -128.33 162.89 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.803 0.335 . . . . 3.28 110.712 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -120.6 141.06 50.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.135 -0.484 . . . . 1.95 110.554 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 46.6 tp -52.42 -52.6 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.6 111.464 -175.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.07 87.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.63 111.866 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.54 -36.2 82.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.235 0.54 . . . . 2.3 109.852 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 74.5 mt -60.19 -51.49 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.468 -0.787 . . . . 0.61 110.241 174.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.83 111.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -64.61 -29.02 70.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.069 0.461 . . . . 1.83 110.852 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -84.03 -8.6 59.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.101 -0.499 . . . . 1.5 110.618 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.29 159.96 16.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 1.7 110.882 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.6 t -163.81 110.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.372 -0.603 . . . . 3.09 109.372 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.451 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 95.7 mtt180 -124.13 99.18 6.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.362 -0.381 . . . . 5.55 110.753 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.93 86.14 35.87 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.463 -0.335 . . . . 3.58 110.325 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.98 106.35 1.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.921 2.414 . . . . 3.95 111.459 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.98 120.71 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.999 -0.546 . . . . 5.08 109.811 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.442 -0.79 . . . . 4.13 110.445 -176.646 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' SER . 51.3 ttp . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.615 -0.513 . . . . 6.45 109.615 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' A' ' 14' ' ' MET . 67.5 mtm 71.96 -5.49 1.7 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.692 0.797 . . . . 4.73 110.281 -172.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 71.0 m -165.27 167.47 17.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.224 -1.399 . . . . 2.01 107.224 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.73 98.15 9.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.701 0.286 . . . . 1.09 110.357 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.11 161.03 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.467 -0.333 . . . . 1.32 110.695 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -57.54 -49.04 77.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.809 0.3 . . . . 2.1 111.809 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.6 -31.98 70.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.454 -0.339 . . . . 1.57 111.148 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.97 -43.25 99.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.288 0.566 . . . . 1.54 110.182 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' ILE . 67.8 mt -68.69 -48.07 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.364 -0.835 . . . . 0.44 110.57 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.48 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.2 111.103 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.52 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.31 110.839 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 79.6 mt -69.48 -35.89 76.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.982 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ILE . 78.3 mt -63.39 -50.57 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.937 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.01 -31.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.967 -0.293 . . . . 0.24 110.572 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -62.51 -44.94 95.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.365 . . . . 1.59 110.574 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 38.4 t80 -60.23 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 1.25 110.707 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.86 -37.43 87.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 1.22 110.796 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -60.42 -45.77 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 1.15 110.135 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.9 t -62.32 -40.2 95.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.229 -0.441 . . . . 0.99 110.288 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 29' ' ' TYR . 50.9 mt -58.02 -50.91 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.43 111.362 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.89 -19.71 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 0.47 111.219 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.37 -56.72 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.205 -0.452 . . . . 2.22 110.892 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' SER . 21.4 ptmt -92.67 3.1 56.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 2.08 111.33 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.51 77.82 0.31 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.314 -0.857 . . . . 2.6 111.314 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 25.4 mm-40 -109.24 1.76 20.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.503 -0.771 . . . . 2.12 109.909 176.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.539 HD11 ' HB1' ' B' ' 57' ' ' ALA . 13.8 tt -134.15 168.71 23.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.32 -0.854 . . . . 0.51 109.913 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 p -72.39 165.07 25.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.974 0.171 . . . . 1.82 111.192 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -56.72 -47.4 80.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.995 0.426 . . . . 2.19 110.474 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.47 -41.46 93.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.3 111.026 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.24 -36.52 93.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.39 112.211 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.99 74.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 0.38 110.498 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.41 -45.34 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.466 -0.788 . . . . 1.84 111.165 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 p -67.86 -34.34 76.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.98 110.729 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.71 -29.19 69.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.41 111.153 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -64.98 -57.28 9.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.699 -0.228 . . . . 0.48 111.099 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.53 -33.82 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.123 0.487 . . . . 0.36 110.424 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.37 110.663 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.8 ttm -69.14 -36.26 77.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.65 110.868 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.96 -41.36 87.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.076 -0.713 . . . . 1.99 109.076 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.07 -52.62 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 1.05 110.977 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 53.3 mt -52.45 -52.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.16 0.505 . . . . 0.34 110.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -61.13 -49.29 77.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.8 111.299 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.21 -34.1 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 2.66 111.287 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -64.12 -41.12 97.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.317 -0.401 . . . . 0.42 111.257 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -85.64 -26.61 25.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.334 -0.394 . . . . 1.24 111.106 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.29 38.07 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.788 -0.72 . . . . 0.43 113.159 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 55' ' ' SER . 34.6 p90 -139.95 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.726 -0.472 . . . . 1.22 109.726 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.7 148.75 43.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.948 0.404 . . . . 2.33 110.476 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.5 ttt180 -60.24 -21.24 61.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.433 -0.803 . . . . 3.67 112.1 -175.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.4 -18.72 58.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.818 0.342 . . . . 3.2 110.674 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -98.23 5.79 48.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.444 -0.344 . . . . 0.67 111.627 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 62' ' ' ARG . 9.6 p -63.71 -35.79 74.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.601 -0.272 . . . . 0.54 111.624 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t -66.68 -40.45 88.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 1.63 110.125 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.73 -40.11 98.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.094 -0.574 . . . . 0.76 111.692 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 64' ' ' ALA . 67.7 mt -64.89 -53.82 37.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.331 -0.248 . . . . 0.71 110.331 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 91.8 mt -62.73 -34.18 76.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.384 -0.371 . . . . 1.14 111.674 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.07 84.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.918 -0.658 . . . . 1.25 112.539 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.64 -29.25 20.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.268 0.556 . . . . 3.16 110.354 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -78.82 164.02 24.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.762 -0.653 . . . . 2.02 110.662 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' ' 14' ' ' MET . 41.8 mt-10 -87.27 38.0 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.132 -0.485 . . . . 2.64 110.679 -177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -139.19 34.4 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.7 110.23 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 90' ' ' PRO . 20.4 pttp -88.95 151.43 22.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.595 . . . . 2.85 110.872 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.83 -51.57 4.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.208 -0.52 . . . . 2.42 112.461 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -89.29 141.69 28.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.626 0.25 . . . . 3.28 110.327 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.13 167.93 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.068 -0.715 . . . . 1.96 109.068 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 83' ' ' LEU . 46.8 tp -53.08 -46.45 68.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.198 0.523 . . . . 0.6 110.524 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.86 82.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.63 111.936 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -62.72 -41.05 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.545 0.688 . . . . 2.3 109.599 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.82 -48.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.889 -1.051 . . . . 0.61 110.944 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.6 mp -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.514 . . . . 0.83 111.008 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 52.7 t30 -62.71 -25.79 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.294 0.569 . . . . 1.83 110.333 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -88.4 -10.18 50.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 1.5 110.703 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.45 39.36 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 1.71 111.312 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -74.64 95.79 2.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 3.09 110.214 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -86.39 123.47 31.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.891 -0.595 . . . . 5.55 110.698 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 5.9 p -55.88 119.87 29.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.221 -0.445 . . . . 3.58 111.651 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 2.9 Cg_exo -75.85 102.78 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.643 2.228 . . . . 3.95 111.956 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.18 177.29 5.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.474 -0.33 . . . . 5.08 110.232 178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.612 -0.709 . . . . 4.12 109.96 177.285 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' B' ' 15' ' ' MET . 52.0 ttp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.714 -0.476 . . . . 6.44 109.714 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' B' ' 14' ' ' MET . 68.6 mtm 72.0 -5.42 1.72 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.654 0.782 . . . . 4.73 110.319 -172.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.443 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 67.5 m -165.03 167.77 18.05 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.213 -1.403 . . . . 2.01 107.213 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.86 98.42 9.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.695 0.283 . . . . 1.09 110.289 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.25 161.06 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 1.33 110.689 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -57.56 -49.12 77.41 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.749 0.277 . . . . 2.1 111.749 -173.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.58 111.095 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.92 -43.27 99.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.295 0.569 . . . . 1.54 110.197 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 26' ' ' ILE . 67.0 mt -68.54 -48.28 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.42 -0.809 . . . . 0.44 110.527 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.44 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.2 111.14 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.63 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.31 110.87 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 79.0 mt -69.49 -35.82 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.46 110.927 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 22' ' ' ILE . 78.6 mt -63.48 -50.51 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.925 -0.579 . . . . 0.27 110.938 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.06 -31.13 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.853 -0.339 . . . . 0.23 110.575 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -62.47 -44.92 95.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.954 0.407 . . . . 1.58 110.572 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.503 ' CZ ' HD11 ' B' ' 33' ' ' ILE . 38.4 t80 -60.26 -51.05 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 1.25 110.691 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -63.73 -37.48 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.697 0.284 . . . . 1.22 110.879 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.3 t -60.44 -45.57 93.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 1.15 110.228 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 23.6 t -62.38 -40.26 95.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.99 110.37 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.503 HD11 ' CZ ' ' B' ' 29' ' ' TYR . 51.0 mt -58.08 -50.83 76.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.348 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.85 -19.86 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.813 0.34 . . . . 0.47 111.16 -176.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.49 -56.35 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.989 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 32' ' ' SER . 21.4 ptmt -92.74 2.91 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 2.08 111.429 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.56 77.8 0.31 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.267 -0.878 . . . . 2.6 111.372 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 25.6 mm-40 -109.15 1.56 20.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.11 109.885 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.546 HD11 ' HB1' ' A' ' 57' ' ' ALA . 13.7 tt -133.99 168.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.215 -0.902 . . . . 0.52 109.925 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 55.1 p -72.3 165.13 25.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.962 0.164 . . . . 1.82 111.035 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.69 -47.49 79.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 2.19 110.496 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.45 -41.5 93.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 2.29 110.96 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.44 93.43 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.801 -0.714 . . . . 0.39 112.188 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.297 0.57 . . . . 0.38 110.518 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.2 -45.42 73.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 1.84 111.228 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -67.95 -34.24 76.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.98 110.645 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 47' ' ' LEU . 39.2 mt -61.84 -29.3 70.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.41 111.208 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -64.77 -57.39 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.596 -0.275 . . . . 0.48 111.221 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.54 -33.48 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.034 0.445 . . . . 0.36 110.494 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.63 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.72 -38.81 92.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.37 110.591 176.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 16.7 ttm -69.25 -36.14 76.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.865 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.86 -41.25 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.207 -0.664 . . . . 1.99 109.207 173.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 86.2 m -65.34 -52.55 53.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.104 -0.953 . . . . 1.05 111.011 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.63 HG13 ' O ' ' B' ' 50' ' ' ALA . 53.9 mt -52.5 -52.81 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.071 0.463 . . . . 0.33 110.605 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -61.14 -49.51 76.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.8 111.129 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.0 -34.11 74.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 2.66 111.285 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -64.33 -40.75 96.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.41 111.204 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.82 -26.66 25.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 1.24 111.13 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.16 38.22 3.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.175 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.447 ' O ' ' HB3' ' B' ' 55' ' ' SER . 34.8 p90 -140.08 173.86 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.71 148.82 43.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.01 0.433 . . . . 2.33 110.403 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 78.6 ttt180 -60.16 -21.37 61.57 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.278 -0.874 . . . . 3.67 112.028 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.44 -18.55 58.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.824 0.345 . . . . 3.19 110.681 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.436 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -98.44 5.85 47.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.66 111.588 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 9.6 p -63.63 -35.92 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.657 0.243 . . . . 0.53 111.657 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -40.32 88.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 1.63 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.72 -39.95 98.02 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.003 -0.618 . . . . 0.74 111.763 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 64' ' ' ALA . 67.5 mt -65.1 -53.63 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.355 -0.239 . . . . 0.7 110.355 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 91.9 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.689 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.02 -33.08 84.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.949 -0.643 . . . . 1.24 112.53 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.76 -29.35 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.099 0.476 . . . . 3.15 110.276 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -78.61 164.02 25.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.791 -0.641 . . . . 2.02 110.641 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' OE1' ' HA ' ' B' ' 14' ' ' MET . 41.9 mt-10 -87.22 37.96 0.79 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 2.64 110.718 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -139.16 34.43 2.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.605 . . . . 1.7 110.286 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 20.3 pttp -88.93 151.26 22.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.837 -0.62 . . . . 2.85 110.892 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.11 -51.67 4.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.151 -0.547 . . . . 2.43 112.426 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -89.41 141.89 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 3.28 110.253 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -86.19 168.02 14.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.157 -0.682 . . . . 1.95 109.157 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.428 ' O ' HD13 ' B' ' 83' ' ' LEU . 46.6 tp -53.06 -46.57 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.543 . . . . 0.6 110.474 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.8 82.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.629 -0.714 . . . . 0.63 111.868 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.77 -40.86 98.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.526 0.679 . . . . 2.3 109.727 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.93 -48.51 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.864 -1.062 . . . . 0.61 110.911 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.428 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.6 mp -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.83 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 52.7 t30 -62.83 -25.49 68.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.236 0.541 . . . . 1.83 110.323 177.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -89.13 -9.62 50.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 1.5 110.625 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.73 39.23 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.277 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' SER . . . . . 0.402 ' HB3' ' OE1' ' A' ' 73' ' ' GLU . 19.9 m -74.58 95.67 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.032 0.444 . . . . 3.09 110.262 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -86.0 123.25 31.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 5.55 110.809 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 6.1 p -55.63 119.82 27.73 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 120.985 0.421 . . . . 3.58 111.717 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.453 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 3.0 Cg_exo -75.84 102.89 1.66 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 3.95 111.967 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.36 177.41 5.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.435 -0.348 . . . . 5.08 110.241 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.448 -0.787 . . . . 4.13 109.95 177.115 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' B' ' 84' ' ' ASN . 94.0 mtp . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.537 0.208 . . . . 6.45 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.427 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 21.7 mmt -75.45 -24.06 56.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.358 . . . . 4.73 110.758 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -155.97 162.22 40.39 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.1 -0.5 . . . . 2.01 109.737 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.2 62.19 1.43 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.562 -0.744 . . . . 1.09 109.317 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -72.06 149.54 44.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.635 -0.711 . . . . 1.32 110.61 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.71 -45.64 49.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.227 0.329 . . . . 2.1 111.532 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.5 -38.58 91.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 1.57 111.629 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.352 0.596 . . . . 1.54 109.96 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.5 mt -64.2 -50.26 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.063 -0.971 . . . . 0.44 110.521 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.55 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.752 -0.658 . . . . 0.2 111.5 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.62 88.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.974 -0.557 . . . . 0.31 111.124 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.03 -28.3 54.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.784 0.326 . . . . 0.46 110.852 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.7 mt -64.86 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.007 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -27.0 37.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.24 110.649 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.82 -44.44 94.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.59 110.573 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.0 t80 -62.24 -49.86 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.25 110.807 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.57 -41.36 85.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 1.22 110.983 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -68.22 -25.73 65.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 1.15 110.44 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 -30.19 44.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.429 -0.35 . . . . 0.99 110.848 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 29' ' ' TYR . 15.0 mt -68.48 -47.47 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.43 110.255 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.95 -25.11 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.47 111.004 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.89 -50.42 73.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 2.22 110.925 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -99.22 5.37 46.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 2.08 111.566 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 56.45 58.85 3.94 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.042 -0.981 . . . . 2.6 111.017 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -100.11 0.13 40.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.927 0.87 . . . . 2.12 109.435 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -110.37 155.72 11.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.384 -1.28 . . . . 0.51 109.672 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 p -64.42 146.64 54.18 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.477 -0.329 . . . . 1.82 110.637 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.68 -47.95 63.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.809 0.338 . . . . 2.19 111.27 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.82 -49.35 78.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 2.3 110.791 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.88 -34.08 85.93 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.39 112.736 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.47 90.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.38 110.815 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.84 -35.48 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 1.84 110.164 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 m -62.39 -36.32 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.98 110.481 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' MET . 22.9 mt -73.85 -16.6 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.954 -0.298 . . . . 0.41 111.221 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.71 -47.3 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 0.48 110.652 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.62 -34.81 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.36 109.706 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.3 -34.91 77.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.37 110.862 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 28.0 tpp -56.39 -45.28 80.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.948 -0.569 . . . . 0.65 110.729 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.71 -39.74 94.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 1.99 110.234 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.39 -41.94 96.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 1.05 111.364 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 50' ' ' ALA . 64.4 mt -62.38 -50.21 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.34 109.83 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 19.8 m -59.28 -42.58 91.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.8 110.785 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.25 -39.75 94.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 2.66 111.216 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.42 112.029 -177.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 86.0 m-85 -102.96 -15.76 16.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 1.24 111.619 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 34.44 9.25 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.863 -0.684 . . . . 0.43 113.538 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.6 p90 -132.06 172.7 12.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.017 0.409 . . . . 1.22 110.17 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -108.65 154.14 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.666 -0.494 . . . . 2.33 109.666 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.9 ttt180 -58.56 -43.38 89.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.107 -0.237 . . . . 3.67 110.915 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.74 9.26 1.52 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.936 0.347 . . . . 3.2 111.936 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.42 -2.44 14.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.66 -0.245 . . . . 0.67 111.265 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.2 p -64.04 -33.0 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.794 0.331 . . . . 0.54 110.689 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 t -58.11 -45.39 87.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 1.63 110.25 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.67 95.53 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.041 -0.599 . . . . 0.76 112.163 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.84 -48.55 87.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.71 110.599 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 88.9 mt -62.09 -41.54 98.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 1.14 111.205 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.5 77.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.644 -0.789 . . . . 1.25 112.408 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.86 21.54 17.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.757 0.313 . . . . 3.16 111.503 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.6 p -99.8 158.67 15.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.846 0.355 . . . . 2.02 110.313 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' A' ' 15' ' ' MET . 51.9 mm-40 -92.64 20.73 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.739 0.781 . . . . 2.64 109.439 172.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' B' ' 83' ' ' LEU . 6.0 m-30 -109.25 -69.62 0.85 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.361 -1.29 . . . . 1.7 109.658 175.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 6.6 mtpm? 47.49 52.41 12.43 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 115.407 -0.815 . . . . 2.85 109.531 -176.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 82' ' ' ILE . . . -81.07 2.02 82.67 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 114.871 -1.059 . . . . 2.42 114.806 -166.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 69.51 -80.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.684 0.754 . . . . 3.28 111.083 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -135.5 126.31 27.42 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 114.451 -1.249 . . . . 1.96 110.121 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 26' ' ' ILE . 36.0 tp -59.76 -42.4 93.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.714 -1.13 . . . . 0.6 112.218 -174.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.63 111.698 -175.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.85 -37.01 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.444 0.64 . . . . 2.3 109.952 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.495 HD11 ' CA ' ' A' ' 76' ' ' GLY . 58.1 mt -64.21 -57.19 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.141 -0.936 . . . . 0.61 111.321 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.651 ' HB3' ' CE2' ' B' ' 74' ' ' PHE . 10.8 mp -61.4 -28.81 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.83 111.304 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' B' ' 14' ' ' MET . 44.6 t30 -57.5 -47.51 81.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.83 110.442 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.0 t -84.53 -9.61 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 1.5 111.108 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.26 68.58 1.09 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.102 0.477 . . . . 1.71 111.889 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.421 ' OG ' ' HG3' ' B' ' 14' ' ' MET . 57.1 m -92.58 130.83 38.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.0 -0.546 . . . . 3.09 109.877 174.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -106.15 128.57 54.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.188 0.518 . . . . 5.55 110.644 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.35 87.76 48.67 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.624 . . . . 3.58 109.932 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.18 148.02 55.09 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.811 2.341 . . . . 3.95 111.745 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -77.47 97.59 5.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.28 -0.418 . . . . 5.08 110.351 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.79 -0.641 . . . . 4.12 109.311 -179.135 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.421 ' HG3' ' OG ' ' A' ' 87' ' ' SER . 94.4 mtp . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.572 0.225 . . . . 6.44 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.422 ' HB2' ' HG3' ' B' ' 73' ' ' GLU . 21.5 mmt -75.66 -24.03 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 4.73 110.735 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.2 p -155.95 162.36 40.38 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.009 -0.541 . . . . 2.01 109.618 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.31 62.06 1.43 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.463 -0.789 . . . . 1.09 109.247 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -71.94 149.7 44.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.645 -0.707 . . . . 1.33 110.649 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.9 -45.64 51.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.172 0.295 . . . . 2.1 111.425 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.45 -38.51 91.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.58 111.651 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.04 -43.21 96.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.614 0.721 . . . . 1.54 109.937 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.9 mt -63.94 -50.29 78.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.964 -1.016 . . . . 0.44 110.473 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.46 70.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.472 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.87 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.547 . . . . 0.31 110.999 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.46 -28.48 56.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.712 -0.395 . . . . 0.46 111.066 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 62.2 mt -64.73 -51.53 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.27 110.983 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -26.95 36.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.808 0.337 . . . . 0.23 110.635 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.79 -44.38 93.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.57 . . . . 1.58 110.544 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.58 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.9 t80 -62.35 -49.76 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 1.25 110.852 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.55 -41.34 85.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.22 110.99 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -68.41 -25.56 65.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 1.15 110.496 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.71 -30.48 46.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.817 0.341 . . . . 0.99 110.782 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.58 HG13 ' O ' ' B' ' 29' ' ' TYR . 15.4 mt -68.4 -47.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.847 0.355 . . . . 0.44 110.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.09 -25.05 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.894 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.99 -50.5 73.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 2.22 110.876 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.23 5.67 46.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 2.08 111.63 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 56.15 58.93 3.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.098 -0.955 . . . . 2.6 111.044 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -100.43 0.41 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.831 0.824 . . . . 2.11 109.423 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.501 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.8 tt -110.59 155.5 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.409 -1.269 . . . . 0.52 109.734 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.4 p -64.2 146.56 54.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.439 -0.346 . . . . 1.82 110.694 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.74 -47.78 63.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.982 0.42 . . . . 2.19 111.336 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.03 -49.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.765 -0.652 . . . . 2.29 110.734 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.1 -33.93 86.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 0.39 112.763 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.76 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.38 110.76 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.78 -35.3 74.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.182 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.6 m -62.38 -36.36 82.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.98 110.504 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 51' ' ' MET . 23.5 mt -73.82 -16.69 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.002 -0.279 . . . . 0.41 111.211 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.55 -47.38 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.48 110.717 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.59 -34.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.476 . . . . 0.36 109.755 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.525 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.4 -34.87 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.682 -0.69 . . . . 0.37 110.9 176.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' B' ' 47' ' ' LEU . 28.0 tpp -56.43 -45.29 80.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.96 -0.564 . . . . 0.65 110.719 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.58 -39.88 94.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 1.99 110.287 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.3 -41.97 96.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 1.05 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.9 mt -62.24 -50.31 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.118 0.485 . . . . 0.33 109.84 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 19.9 m -59.32 -42.59 91.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.626 -0.716 . . . . 0.8 110.762 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.659 . . . . 2.66 111.174 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.44 -34.46 75.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.41 111.965 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 86.7 m-85 -102.96 -15.96 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.648 0.261 . . . . 1.24 111.472 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.86 34.64 8.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.937 -0.649 . . . . 0.42 113.388 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.2 p90 -132.29 172.68 12.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.08 0.44 . . . . 1.23 110.125 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -108.61 154.09 22.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.702 -0.481 . . . . 2.33 109.702 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.586 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.8 ttt180 -58.65 -43.24 89.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.583 0.23 . . . . 3.67 110.843 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -73.88 9.24 1.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.826 0.306 . . . . 3.19 111.826 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.66 -2.31 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.672 -0.24 . . . . 0.66 111.251 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.2 p -64.06 -33.01 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.706 0.289 . . . . 0.53 110.742 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 43.8 t -58.08 -45.38 87.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.63 110.247 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.22 -43.44 95.36 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.882 -0.599 . . . . 0.74 112.152 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -48.52 87.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-O 120.609 0.242 . . . . 0.7 110.493 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 89.1 mt -62.02 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 1.13 111.22 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.01 -30.73 78.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.712 -0.756 . . . . 1.24 112.346 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.59 21.37 17.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.348 . . . . 3.15 111.562 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 91.0 p -99.67 158.66 15.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.835 0.35 . . . . 2.02 110.343 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' HB2' ' B' ' 15' ' ' MET . 51.1 mm-40 -92.56 20.92 5.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.692 0.758 . . . . 2.64 109.51 172.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.651 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 m-30 -109.41 -69.63 0.85 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.424 -1.262 . . . . 1.7 109.666 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' B' ' 69' ' ' LEU . 6.6 mtpm? 47.67 52.18 12.98 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.302 -0.863 . . . . 2.85 109.521 -176.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.497 ' CA ' HD11 ' B' ' 82' ' ' ILE . . . -81.01 2.01 82.54 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.028 -0.987 . . . . 2.43 114.617 -166.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 69.49 -80.3 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.537 0.684 . . . . 3.28 111.132 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -135.36 126.44 27.91 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.561 -1.199 . . . . 1.95 110.043 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 26' ' ' ILE . 35.6 tp -59.84 -42.35 93.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.811 -1.086 . . . . 0.6 112.218 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.3 95.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.399 -0.364 . . . . 0.63 111.644 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.77 -37.16 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 2.3 110.033 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.497 HD11 ' CA ' ' B' ' 76' ' ' GLY . 58.2 mt -64.07 -57.09 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.969 -1.014 . . . . 0.61 111.331 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.655 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.8 mp -61.44 -28.92 69.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.83 111.273 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' MET . 44.8 t30 -57.49 -47.7 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 1.83 110.386 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -84.79 -8.49 58.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 1.5 111.184 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.0 68.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 1.7 111.84 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 55.2 m -92.66 130.73 38.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.024 -0.535 . . . . 3.09 109.924 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -106.12 128.34 53.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.165 0.507 . . . . 5.55 110.692 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.13 87.99 48.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 3.58 109.959 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.36 147.58 53.12 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.838 2.358 . . . . 3.95 111.931 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.02 97.48 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.961 0.41 . . . . 5.08 110.371 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.674 -0.693 . . . . 4.13 109.41 -179.107 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.055 0.455 . . . . 6.45 111.179 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 mmt -74.39 144.01 44.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 4.73 109.543 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 m -86.23 10.14 15.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.255 -0.429 . . . . 2.01 111.905 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.43 84.92 0.14 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.664 -0.698 . . . . 1.09 111.526 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -75.84 178.01 6.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.041 -0.527 . . . . 1.32 110.202 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.88 -46.02 78.4 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.769 0.285 . . . . 2.1 111.769 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.95 -36.04 81.32 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.765 0.317 . . . . 1.57 110.956 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.27 -42.64 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.211 0.529 . . . . 1.54 110.583 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 26' ' ' ILE . 83.3 mt -68.9 -46.0 79.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.54 -0.754 . . . . 0.44 110.504 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.51 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.2 110.998 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.51 80.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.31 110.774 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 28' ' ' ASN . 23.0 mt -70.42 -32.22 69.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.584 -0.28 . . . . 0.46 111.306 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 22' ' ' ILE . 75.0 mt -62.7 -50.95 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.472 -0.331 . . . . 0.27 110.876 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.47 -25.72 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.24 110.431 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t-20 -62.69 -36.24 82.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 1.59 110.717 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 33' ' ' ILE . 49.1 t80 -72.73 -46.77 51.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 1.25 110.836 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.9 -40.02 94.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.22 111.384 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 p -63.61 -32.33 73.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 1.15 110.895 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 m -66.62 -42.64 86.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.894 0.378 . . . . 0.99 110.436 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.523 HD11 ' CE2' ' A' ' 29' ' ' TYR . 54.9 mt -58.27 -49.78 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.821 -0.627 . . . . 0.43 111.149 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.14 -28.73 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.367 -0.379 . . . . 0.47 111.384 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.59 -48.41 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.636 0.255 . . . . 2.22 111.087 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -90.34 2.93 55.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 2.08 111.319 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp 57.19 54.94 6.32 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.483 -0.78 . . . . 2.6 110.588 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.83 -19.28 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.854 0.835 . . . . 2.12 108.968 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.0 tt -111.79 160.48 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.676 -1.147 . . . . 0.51 109.977 -177.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -78.39 170.11 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.697 -0.229 . . . . 1.82 111.245 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.79 -53.03 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.66 0.615 . . . . 2.19 112.66 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.86 -44.07 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 2.3 110.79 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.73 97.83 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.755 -0.657 . . . . 0.39 112.526 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.46 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.38 110.634 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.12 -37.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 1.84 110.538 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 49' ' ' VAL . 12.4 t -61.97 -45.11 95.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.648 -0.706 . . . . 0.98 110.034 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -22.08 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.309 . . . . 0.41 111.205 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.69 -43.61 65.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.692 -0.231 . . . . 0.48 111.005 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 46' ' ' SER . 11.0 p -70.48 -31.13 45.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.448 -0.575 . . . . 0.36 109.448 177.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' B' ' 53' ' ' CYS . . . -66.69 -34.73 78.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.37 110.431 174.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.418 ' CA ' ' HE3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -60.17 -53.46 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.65 109.886 179.114 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.51 -38.94 91.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 1.99 110.51 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' B' ' 50' ' ' ALA . 10.7 t -55.3 -57.12 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.68 -0.691 . . . . 1.05 111.181 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.83 -37.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.34 110.534 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.8 110.622 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.88 -47.6 71.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 2.66 111.0 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.42 112.229 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -93.93 -19.29 21.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.036 0.384 . . . . 1.24 112.036 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 47.96 4.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.783 -0.722 . . . . 0.43 113.193 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -142.76 170.43 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.148 -0.316 . . . . 1.22 110.148 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -107.78 153.77 22.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.255 -0.43 . . . . 2.33 110.388 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 69.2 ttt180 -64.64 -20.31 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 3.67 111.179 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.06 -11.06 53.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.365 0.603 . . . . 3.2 110.472 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.56 48.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.67 111.325 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 6.0 p -60.38 -44.12 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.66 -0.245 . . . . 0.54 111.003 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.0 m -65.39 -32.63 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 1.63 110.687 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.03 -44.01 79.48 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.92 -0.657 . . . . 0.76 111.77 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.89 -39.75 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.71 110.556 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 97.5 mt -66.37 -38.5 87.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 1.14 110.508 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.49 -31.2 78.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 1.25 111.853 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.11 -39.32 75.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.205 0.526 . . . . 3.16 110.613 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 p -88.04 -166.98 1.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.863 -0.608 . . . . 2.02 111.393 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.98 -19.87 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.505 0.669 . . . . 2.64 109.88 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CG ' HD11 ' A' ' 25' ' ' LEU . 14.2 m-85 -84.99 38.36 0.71 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.36 -0.837 . . . . 1.7 110.907 -170.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -59.39 -33.19 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.213 -0.903 . . . . 2.85 110.289 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.35 58.17 0.57 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.48 -0.782 . . . . 2.42 111.233 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.54 ' HG2' HH11 ' B' ' 88' ' ' ARG . 57.8 mm-40 -135.12 161.22 35.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 3.28 111.395 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -127.48 129.65 47.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.063 -0.971 . . . . 1.96 108.391 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.4 tp -46.62 -54.68 9.01 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.802 0.667 . . . . 0.6 112.802 -170.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.85 78.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.389 -0.368 . . . . 0.63 111.966 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.93 -36.23 83.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.389 0.614 . . . . 2.3 110.154 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.74 -49.06 83.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.206 -0.906 . . . . 0.61 110.485 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.15 -36.07 83.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.83 111.052 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.49 -34.52 74.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.692 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.0 m -83.08 -9.91 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.844 -0.616 . . . . 1.5 111.098 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.73 50.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.446 . . . . 1.71 111.004 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -82.62 146.77 28.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.016 -0.538 . . . . 3.09 110.36 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' B' ' 77' ' ' GLN . 6.3 ptm180 -168.08 149.4 5.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.469 -0.332 . . . . 5.55 110.447 -175.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.5 t -116.46 87.3 20.16 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 3.58 110.404 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 6.0 Cg_exo -78.63 87.28 1.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.851 2.367 . . . . 3.95 110.858 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -59.3 108.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 5.08 110.577 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.379 -0.819 . . . . 4.12 110.432 -175.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.162 0.506 . . . . 6.44 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 24.6 mmt -74.34 144.44 44.46 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.826 -0.625 . . . . 4.73 109.474 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.5 m -86.64 10.18 16.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.191 -0.459 . . . . 2.01 111.731 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.34 85.06 0.14 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.761 -0.654 . . . . 1.09 111.512 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.85 177.75 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.114 -0.494 . . . . 1.33 110.224 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.68 -45.94 77.69 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.862 0.319 . . . . 2.1 111.862 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -36.06 81.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.341 . . . . 1.58 111.034 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.02 -42.88 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 1.54 110.66 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 83.3 mt -68.84 -45.96 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.405 -0.816 . . . . 0.44 110.419 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.56 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.2 111.004 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.31 110.809 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.443 ' HA ' ' HB3' ' B' ' 28' ' ' ASN . 23.4 mt -70.19 -32.41 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.36 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 75.1 mt -62.53 -51.11 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.27 110.894 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.32 -25.82 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.23 110.501 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.443 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.8 t-20 -62.53 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.829 -0.623 . . . . 1.58 110.685 175.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' B' ' 33' ' ' ILE . 49.2 t80 -72.53 -46.87 52.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 1.25 110.809 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.426 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -63.63 -32.35 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 1.15 111.021 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -66.52 -42.47 87.25 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 0.99 110.688 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.1 mt -58.48 -49.77 81.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.117 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -73.98 -28.93 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.375 -0.375 . . . . 0.47 111.3 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.47 -48.27 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 2.22 111.103 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.48 2.96 55.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.836 0.351 . . . . 2.08 111.239 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp 57.19 54.79 6.47 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.558 -0.746 . . . . 2.6 110.65 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.72 -19.27 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.836 0.827 . . . . 2.11 108.98 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.506 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.0 tt -112.04 160.07 11.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.604 -1.18 . . . . 0.52 110.008 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -78.01 170.36 16.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.826 -0.17 . . . . 1.82 111.245 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -52.02 -52.96 47.34 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.545 0.572 . . . . 2.19 112.545 -174.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -60.71 -44.2 96.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 2.29 110.816 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.8 97.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.39 112.34 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.42 85.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.38 110.536 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.03 -37.64 88.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.919 -0.582 . . . . 1.84 110.569 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.509 ' O ' HG12 ' B' ' 49' ' ' VAL . 13.1 t -62.05 -45.19 94.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.619 -0.719 . . . . 0.98 110.01 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.69 -22.27 65.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 0.41 111.311 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.61 -43.55 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.607 -0.27 . . . . 0.48 111.093 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 46' ' ' SER . 10.9 p -70.4 -31.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.575 -0.528 . . . . 0.36 109.575 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -66.66 -34.67 78.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.814 -0.63 . . . . 0.37 110.474 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.427 ' CA ' ' HE3' ' B' ' 51' ' ' MET . 0.0 OUTLIER -60.34 -53.3 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.65 109.921 179.174 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.52 -39.1 92.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.516 -0.765 . . . . 1.99 110.545 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 t -55.2 -57.18 12.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.747 -0.66 . . . . 1.05 111.225 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.74 -37.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.33 110.535 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.4 m -60.3 -49.22 78.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.8 110.592 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.85 -47.66 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 2.66 111.03 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.2 98.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.41 112.17 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -93.73 -19.32 21.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.021 0.378 . . . . 1.24 112.021 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.4 47.87 5.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.845 -0.693 . . . . 0.42 113.201 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.53 170.55 15.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.042 -0.355 . . . . 1.23 110.042 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.02 153.7 22.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 2.33 110.451 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.412 ' O ' HG12 ' B' ' 65' ' ' VAL . 69.1 ttt180 -64.64 -20.29 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 3.67 111.107 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -86.23 -11.03 53.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.369 0.604 . . . . 3.19 110.251 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.46 48.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.125 -0.489 . . . . 0.66 111.299 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -60.51 -44.21 95.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.662 -0.244 . . . . 0.53 110.945 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 59.9 m -65.19 -32.8 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 1.63 110.592 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.86 -44.07 80.94 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.905 -0.664 . . . . 0.74 111.826 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.9 -39.74 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.7 110.585 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 97.5 mt -66.38 -38.52 87.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.13 110.492 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.45 -31.19 78.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 1.24 111.887 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.01 -39.45 75.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 3.15 110.583 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -87.97 -167.14 1.78 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.02 111.377 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.81 -19.82 57.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.541 0.686 . . . . 2.64 109.91 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -85.01 38.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.362 -0.835 . . . . 1.7 110.942 -170.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.53 -32.98 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 2.85 110.275 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.47 57.75 0.57 Allowed Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.325 -0.852 . . . . 2.43 111.519 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.507 ' HG2' HH11 ' A' ' 88' ' ' ARG . 58.2 mm-40 -134.71 161.33 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.199 0.524 . . . . 3.28 111.381 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -127.55 129.72 47.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.013 -0.994 . . . . 1.95 108.376 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 59.6 tp -46.72 -54.65 9.24 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.832 0.678 . . . . 0.6 112.832 -170.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.98 78.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 0.63 111.96 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.81 -36.23 83.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 2.3 110.106 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 58.2 mt -63.79 -49.09 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.61 110.426 175.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.14 -36.12 83.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.83 110.958 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.47 -34.44 74.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.127 0.489 . . . . 1.83 110.604 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.2 m -83.26 -9.5 59.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 1.5 111.113 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.22 50.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.106 0.479 . . . . 1.7 110.921 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.9 p -82.89 146.63 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.949 -0.568 . . . . 3.09 110.374 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 77' ' ' GLN . 6.2 ptm180 -167.93 149.56 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.312 -0.403 . . . . 5.55 110.412 -175.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.54 86.89 19.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 3.58 110.539 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 5.9 Cg_exo -78.34 87.22 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.843 2.362 . . . . 3.95 110.843 176.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.4 108.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 5.08 110.599 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.543 -0.742 . . . . 4.13 110.26 -175.915 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 16' ' ' SER . 23.7 ptm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.913 -0.403 . . . . 6.45 109.913 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.2 mtp 66.54 -3.77 0.82 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.455 0.702 . . . . 4.73 110.965 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 14' ' ' MET . 51.3 m -160.04 163.52 33.91 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.325 -1.361 . . . . 2.01 107.325 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.63 94.07 6.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.788 0.327 . . . . 1.09 110.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -76.41 158.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.32 110.281 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.7 -54.01 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 2.1 111.164 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.15 -36.83 80.84 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.916 -0.584 . . . . 1.57 111.662 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.06 -42.73 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.039 0.447 . . . . 1.54 111.009 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.2 mt -66.28 -48.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.748 -0.66 . . . . 0.44 110.229 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.41 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.2 110.657 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.98 76.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.096 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 74' ' ' PHE . 88.1 mt -66.55 -39.67 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.17 -0.468 . . . . 0.46 110.988 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.8 mt -62.61 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.27 111.321 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.38 -35.61 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.948 -0.301 . . . . 0.24 110.97 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.72 -31.44 68.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 1.59 110.369 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' A' ' 33' ' ' ILE . 34.5 t80 -66.29 -52.1 50.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.05 -0.352 . . . . 1.25 110.05 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -59.49 -38.17 80.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.916 0.388 . . . . 1.22 110.569 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -63.61 -42.26 98.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.598 . . . . 1.15 110.782 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 p -75.94 -20.93 57.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.679 0.276 . . . . 0.99 111.124 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 29' ' ' TYR . 55.1 mt -65.83 -54.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.052 0.453 . . . . 0.43 110.138 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 m -71.88 -20.72 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.919 -0.582 . . . . 0.47 110.881 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.815 -0.63 . . . . 2.22 111.037 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.63 16.7 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 2.08 111.684 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 55.4 68.38 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.223 -0.899 . . . . 2.6 111.39 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -106.34 5.66 29.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.649 -0.705 . . . . 2.12 109.99 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -137.3 159.81 35.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.073 -0.967 . . . . 0.51 110.047 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -66.6 152.79 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.394 . . . . 1.82 110.842 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -51.43 -47.83 62.88 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.737 0.303 . . . . 2.19 111.404 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.36 -46.7 83.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 2.3 110.725 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -66.41 -35.14 89.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.39 112.521 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.33 90.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.206 0.527 . . . . 0.38 110.219 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.15 -42.61 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.818 . . . . 1.84 110.463 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -60.64 -38.72 85.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.98 110.82 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.11 -27.47 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.41 111.557 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -67.37 -54.22 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.061 -0.256 . . . . 0.48 111.158 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.94 -35.9 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.967 0.413 . . . . 0.36 110.286 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.89 -42.94 99.67 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.37 110.736 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.9 ttm -63.7 -40.39 96.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.529 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.13 -38.19 87.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.629 -0.508 . . . . 1.99 109.629 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 68.1 m -72.06 -34.81 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.503 -0.771 . . . . 1.05 111.197 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 50' ' ' ALA . 56.3 mt -62.67 -48.46 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 109.426 -0.583 . . . . 0.34 109.426 174.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.678 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.2 m -61.97 -44.84 95.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.345 -0.843 . . . . 0.8 110.47 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.51 -37.19 82.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.579 -0.737 . . . . 2.66 110.816 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -66.75 -51.57 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 0.42 112.059 -176.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -85.51 -6.67 59.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.775 0.321 . . . . 1.24 111.671 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.14 42.38 19.47 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.996 -0.621 . . . . 0.43 112.898 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.4 p90 -139.29 -177.68 5.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.59 -0.522 . . . . 1.22 109.59 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.82 151.53 37.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.91 0.386 . . . . 2.33 110.84 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 65' ' ' VAL . 44.4 ttp180 -62.93 -23.17 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.549 -0.751 . . . . 3.67 110.347 177.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.44 -14.47 40.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 3.2 110.626 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.79 57.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.67 111.111 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.1 p -60.09 -33.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.54 110.841 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -64.94 -37.62 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.63 110.868 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -39.9 72.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.847 -0.692 . . . . 0.76 111.844 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.17 -52.17 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.71 110.527 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 83.5 mt -66.73 -13.88 61.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 1.14 111.325 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.83 -30.68 72.51 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.696 -0.764 . . . . 1.25 111.857 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.93 -34.29 10.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 3.16 110.524 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -63.69 140.97 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.02 111.543 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.3 4.16 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 2.64 111.01 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' CG ' HD11 ' A' ' 25' ' ' LEU . 40.3 m-85 -85.52 -7.46 58.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.889 -0.596 . . . . 1.7 109.882 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 19.2 ptmt -56.51 139.01 50.81 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.454 -0.794 . . . . 2.85 111.182 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.49 -35.68 4.74 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.882 -0.675 . . . . 2.42 111.616 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -111.64 177.42 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.852 -0.425 . . . . 3.28 109.852 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -119.52 169.98 9.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.772 -0.455 . . . . 1.96 109.772 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.1 tp -55.42 -49.26 72.88 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.9 0.333 . . . . 0.6 111.9 -175.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.73 76.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.06 0.393 . . . . 0.63 112.06 -174.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.77 -39.2 93.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.421 0.629 . . . . 2.3 109.949 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 92.2 mt -60.09 -49.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.062 -0.972 . . . . 0.61 110.521 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.04 -35.09 79.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.71 -0.677 . . . . 0.83 110.77 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.88 -36.33 74.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.179 0.514 . . . . 1.83 110.204 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -78.52 -10.22 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 1.5 111.054 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.89 50.48 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.055 0.455 . . . . 1.71 110.93 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -80.24 71.75 7.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.429 0.633 . . . . 3.09 109.891 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 90' ' ' PRO . 42.9 mtp180 -67.28 167.4 12.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.194 -0.912 . . . . 5.55 111.581 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.11 85.69 15.74 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 3.58 110.383 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 1.1 Cg_endo -83.42 89.8 1.03 Allowed 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.223 2.615 . . . . 3.95 111.814 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.63 124.35 27.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.997 -0.547 . . . . 5.08 111.338 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.588 -0.72 . . . . 4.12 109.668 178.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.477 ' C ' ' H ' ' B' ' 16' ' ' SER . 23.7 ptm . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 109.961 -0.385 . . . . 6.44 109.961 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.3 mtp 66.42 -3.55 0.83 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.55 0.74 . . . . 4.73 110.933 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.477 ' H ' ' C ' ' B' ' 14' ' ' MET . 49.2 m -160.23 163.31 33.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.315 -1.365 . . . . 2.01 107.315 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.65 94.15 6.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.751 0.31 . . . . 1.09 110.378 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -76.62 158.5 31.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.207 -0.452 . . . . 1.33 110.379 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.49 -54.04 37.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 2.1 111.123 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.17 -36.79 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 1.58 111.705 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 -42.72 84.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 1.54 111.01 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 63.1 mt -66.21 -48.15 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.635 . . . . 0.44 110.244 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.31 76.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.85 -0.613 . . . . 0.2 110.688 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.0 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.684 . . . . 0.31 111.031 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' B' ' 74' ' ' PHE . 88.6 mt -66.54 -39.64 88.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.126 -0.488 . . . . 0.46 111.068 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.3 mt -62.54 -50.99 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.27 111.374 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.32 -35.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.955 -0.298 . . . . 0.23 110.96 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -70.84 -31.41 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.751 0.31 . . . . 1.58 110.288 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' B' ' 33' ' ' ILE . 34.7 t80 -66.17 -52.26 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.016 -0.364 . . . . 1.25 110.016 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -59.37 -38.2 79.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.954 0.407 . . . . 1.22 110.642 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -63.49 -42.41 98.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 1.15 110.832 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.7 p -75.89 -20.85 57.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.667 0.27 . . . . 0.99 111.148 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.0 mt -65.67 -54.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.44 110.221 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.5 m -71.85 -20.69 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.47 110.935 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.41 -49.21 74.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.73 -0.668 . . . . 2.22 111.019 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.57 16.43 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 2.08 111.631 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 55.5 68.46 0.86 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.247 -0.888 . . . . 2.6 111.355 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.42 5.58 29.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 2.11 109.883 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.9 tt -137.32 159.59 35.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.161 -0.927 . . . . 0.52 109.987 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -66.35 152.86 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.371 . . . . 1.82 110.779 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.38 -47.91 62.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.746 0.308 . . . . 2.19 111.406 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.3 -46.89 82.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.895 -0.593 . . . . 2.29 110.685 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -66.26 -35.25 90.07 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.784 -0.643 . . . . 0.39 112.576 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.5 90.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.31 0.576 . . . . 0.38 110.257 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.05 -42.87 84.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.31 -0.859 . . . . 1.84 110.383 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.7 m -60.5 -38.67 85.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.835 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.1 -27.69 69.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.395 -0.366 . . . . 0.41 111.541 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.96 -54.33 22.93 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.029 -0.268 . . . . 0.48 111.227 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.98 -35.9 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.922 0.391 . . . . 0.36 110.248 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.655 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.85 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.37 110.641 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 13.0 ttm -63.71 -40.27 96.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.65 111.562 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.3 -38.02 87.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 68.0 m -72.08 -34.8 68.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.561 -0.745 . . . . 1.05 111.196 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.655 HG13 ' O ' ' B' ' 50' ' ' ALA . 56.2 mt -62.63 -48.46 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.44 -0.578 . . . . 0.33 109.44 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.672 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.1 m -62.06 -44.67 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.53 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.54 -37.24 83.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.523 -0.762 . . . . 2.66 110.813 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -66.81 -51.53 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.869 -0.605 . . . . 0.41 112.006 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -85.24 -7.28 59.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.843 0.354 . . . . 1.24 111.534 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.63 42.18 18.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.015 -0.612 . . . . 0.42 112.815 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.672 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.4 p90 -139.22 -177.86 5.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.23 109.601 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.66 151.31 38.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.867 0.365 . . . . 2.33 110.738 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.457 ' O ' HG12 ' B' ' 65' ' ' VAL . 44.6 ttp180 -62.68 -23.52 67.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.582 -0.735 . . . . 3.67 110.386 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.82 -14.83 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.156 -0.474 . . . . 3.19 110.733 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.77 -3.79 57.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.66 111.037 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.1 p -60.12 -33.73 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.53 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -65.03 -37.41 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 1.63 110.979 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.19 -39.88 71.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.919 -0.658 . . . . 0.74 111.867 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.18 -52.51 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.889 0.376 . . . . 0.7 110.412 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 84.3 mt -66.38 -13.97 61.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.13 111.43 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.63 -30.95 72.95 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.72 -0.752 . . . . 1.24 111.733 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.94 -34.18 10.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.949 0.404 . . . . 3.15 110.472 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -63.73 140.98 58.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.509 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -76.28 4.22 9.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 2.64 111.06 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CG ' HD11 ' B' ' 25' ' ' LEU . 40.3 m-85 -85.65 -7.33 58.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.83 -0.623 . . . . 1.7 109.875 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 19.2 ptmt -56.4 138.92 50.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.48 -0.782 . . . . 2.85 111.281 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.47 -35.67 4.74 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.951 -0.643 . . . . 2.43 111.654 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -111.66 177.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.91 -0.404 . . . . 3.28 109.91 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -119.48 169.62 9.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.819 -0.438 . . . . 1.95 109.819 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 57.1 tp -55.19 -49.23 72.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.782 0.325 . . . . 0.6 111.797 -175.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.63 112.082 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.84 -39.26 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.384 0.612 . . . . 2.3 109.946 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 92.0 mt -59.99 -49.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.072 -0.967 . . . . 0.61 110.525 175.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.88 -34.92 78.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 0.83 110.854 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.05 -36.22 74.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 1.83 110.27 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -78.99 -9.52 59.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 1.5 110.915 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.34 50.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 1.7 110.978 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -80.12 72.32 6.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.435 0.635 . . . . 3.09 109.795 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.472 ' O ' ' HD3' ' B' ' 90' ' ' PRO . 42.7 mtp180 -67.83 167.1 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.086 -0.961 . . . . 5.55 111.536 -175.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.7 t -115.71 85.89 14.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.405 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 1.0 OUTLIER -83.42 90.06 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.25 2.633 . . . . 3.95 111.742 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.92 124.27 27.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 5.08 111.256 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.586 -0.734 . . . . 4.13 109.686 178.026 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.337 0.113 . . . . 6.45 110.729 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 69.0 mtm 68.73 -62.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.711 0.804 . . . . 4.73 111.104 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.636 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 19.6 m -76.87 102.14 6.22 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 109.132 -0.692 . . . . 2.01 109.132 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.29 98.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.239 0.962 . . . . 1.09 112.024 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.84 166.34 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.32 109.671 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -51.07 -50.19 59.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.726 0.269 . . . . 2.1 111.726 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.48 -36.35 82.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.57 111.609 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.84 -41.09 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 1.54 110.466 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.8 mt -65.3 -50.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 0.44 110.758 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -32.58 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.2 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.85 86.88 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.777 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 mt -69.8 -35.24 74.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.515 -0.311 . . . . 0.46 110.986 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -60.56 -53.74 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.186 -0.461 . . . . 0.27 111.149 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.83 -31.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.24 110.643 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.99 -41.3 91.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 1.59 110.346 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.2 t80 -60.37 -48.31 82.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.529 . . . . 1.25 110.463 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.1 m-85 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.483 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 49.6 m -63.84 -35.81 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 1.15 110.62 177.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 39.0 t -63.12 -41.81 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.99 110.717 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 37.8 mt -63.85 -44.18 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.43 111.002 -177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.92 -21.13 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.47 111.009 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' SER . 11.6 tp10 -69.47 -44.94 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.316 -0.402 . . . . 2.22 110.317 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' SER . 60.3 pttt -86.94 1.94 50.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.399 0.619 . . . . 2.08 110.725 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttm 54.49 52.35 12.51 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.66 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.54 -35.31 12.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.301 -0.629 . . . . 2.12 109.301 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -83.8 151.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.51 110.399 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -76.45 163.26 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 1.82 111.397 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -50.71 58.21 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.606 0.595 . . . . 2.19 112.606 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.88 -41.32 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 2.3 110.767 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.74 95.57 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.854 -0.689 . . . . 0.39 111.96 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.1 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.747 0.308 . . . . 0.38 110.868 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.61 -39.04 93.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 1.84 110.713 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -61.64 -40.38 94.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.956 -0.565 . . . . 0.98 110.465 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.8 -31.46 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -63.68 -58.5 6.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.292 . . . . 0.48 110.724 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.43 -35.38 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.924 0.392 . . . . 0.36 110.568 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.83 -40.26 96.87 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.584 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 8.0 ttm -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.03 -0.532 . . . . 0.65 111.545 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.86 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.109 0.481 . . . . 1.99 110.176 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.2 m -70.84 -45.26 64.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 1.05 110.858 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.5 mt -57.02 -53.51 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.207 0.527 . . . . 0.34 110.278 177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -59.44 -48.26 82.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.399 -0.819 . . . . 0.8 111.191 -176.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -69.79 -29.26 66.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 2.66 111.069 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.99 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.42 111.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 44.5 m-85 -87.52 -28.77 21.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.426 . . . . 1.24 111.256 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.67 39.52 2.19 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.541 -0.837 . . . . 0.43 113.024 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' SER . 46.5 p90 -140.41 165.95 26.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.741 -0.466 . . . . 1.22 109.741 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.73 151.09 21.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.653 -0.249 . . . . 2.33 110.706 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.595 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.6 mtm180 -57.35 -44.79 84.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.391 0.615 . . . . 3.67 109.787 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -75.8 4.38 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.478 -0.783 . . . . 3.2 111.259 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -112.33 -1.58 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.602 -0.272 . . . . 0.67 111.605 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -65.0 -33.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 0.54 110.97 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.58 -40.21 93.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.232 -0.44 . . . . 1.63 110.824 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.88 -38.13 84.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.952 -0.642 . . . . 0.76 112.0 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 64' ' ' ALA . 64.9 mt -61.61 -52.33 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.337 . . . . 0.71 110.458 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.0 -34.16 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.585 . . . . 1.14 111.272 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' A' ' 75' ' ' LYS . . . -66.32 -34.55 88.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.951 -0.642 . . . . 1.25 112.32 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.09 -46.5 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 3.16 110.431 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.6 t -63.63 167.23 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.634 . . . . 2.02 110.912 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 7.5 mm-40 -86.38 12.49 10.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 2.64 110.981 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.04 4.38 51.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.292 0.568 . . . . 1.7 110.456 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 16.4 pttm -61.76 122.16 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 2.85 110.333 173.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.47 -0.78 75.01 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.865 -0.684 . . . . 2.42 111.97 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -118.09 151.75 36.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.788 0.328 . . . . 3.28 110.372 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -120.88 146.7 46.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.401 -0.363 . . . . 1.96 110.256 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.2 -55.52 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.6 111.478 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.3 88.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.63 111.687 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.46 -41.34 97.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 2.3 110.412 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' B' ' 86' ' ' ALA . 32.6 mt -58.55 -50.75 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.763 . . . . 0.61 111.151 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.98 -38.78 89.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.83 111.011 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.693 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 10.1 t30 -65.68 -40.09 92.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.234 -0.439 . . . . 1.83 110.804 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -70.51 -38.31 74.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 1.5 110.775 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . -93.41 33.64 1.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.304 -0.407 . . . . 1.71 111.567 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -77.21 134.86 38.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.361 -0.381 . . . . 3.09 110.219 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' HD2' ' HG2' ' B' ' 77' ' ' GLN . 6.1 ptm180 -92.19 164.84 13.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 5.55 110.816 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.7 t -116.71 94.57 44.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 3.58 109.737 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.28 126.32 13.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.171 2.58 . . . . 3.95 112.397 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -104.08 23.04 13.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 5.08 110.373 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.348 -0.842 . . . . 4.12 109.533 -179.867 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 110.701 -0.111 . . . . 6.44 110.701 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 69.7 mtm 68.49 -61.59 0.4 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.829 0.851 . . . . 4.73 111.043 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.693 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 19.4 m -77.2 102.15 6.5 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.08 -0.711 . . . . 2.01 109.08 175.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.37 98.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.204 0.94 . . . . 1.09 112.054 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.91 166.23 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 1.33 109.65 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -50.94 -50.26 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.692 0.256 . . . . 2.1 111.692 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.57 -36.17 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.58 111.612 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.99 -41.03 74.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.261 0.553 . . . . 1.54 110.558 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 64.1 mt -65.31 -50.86 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.446 -0.797 . . . . 0.44 110.713 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.64 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 0.2 110.886 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.92 86.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.687 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 mt -69.68 -35.17 74.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.46 111.023 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 73.5 mt -60.62 -53.76 44.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.27 111.065 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.8 -31.74 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.23 110.609 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.05 -41.07 91.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.363 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.417 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.5 t80 -60.58 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 1.25 110.615 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.42 -38.76 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 1.22 110.486 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 50.3 m -63.86 -35.72 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 1.15 110.553 177.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 39.7 t -63.12 -42.03 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.99 110.734 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 37.5 mt -63.69 -44.13 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.44 111.076 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.08 -20.95 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.05 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 31' ' ' SER . 11.5 tp10 -69.51 -44.78 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.089 0.471 . . . . 2.22 110.352 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 32' ' ' SER . 60.2 pttt -87.14 1.88 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.264 0.554 . . . . 2.08 110.693 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 54.62 52.33 12.42 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.583 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -94.48 -35.22 12.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.352 -0.61 . . . . 2.11 109.352 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -83.85 151.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.729 . . . . 0.52 110.221 -177.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -76.43 163.18 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.253 -0.431 . . . . 1.82 111.335 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.11 -50.82 58.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.48 0.548 . . . . 2.19 112.48 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -60.63 -41.33 94.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 2.29 110.77 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.68 95.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.78 -0.724 . . . . 0.39 112.051 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.19 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.278 . . . . 0.38 110.75 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.54 -39.18 93.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.43 . . . . 1.84 110.687 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -61.56 -40.36 94.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.613 . . . . 0.98 110.452 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.83 -31.3 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.41 111.237 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.64 -58.53 6.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 0.48 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -35.37 69.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.93 0.395 . . . . 0.36 110.565 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.639 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -62.76 -40.21 96.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.37 110.63 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.422 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 8.0 ttm -64.6 -42.43 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.121 -0.49 . . . . 0.65 111.587 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -35.96 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.176 0.512 . . . . 1.99 110.23 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.88 -45.44 64.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.703 -0.68 . . . . 1.05 110.882 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.639 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.3 mt -57.01 -53.62 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.186 0.517 . . . . 0.33 110.218 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -59.32 -48.24 82.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.416 -0.811 . . . . 0.8 111.194 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.03 -28.99 65.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 2.66 111.089 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.68 83.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.92 0.391 . . . . 0.41 111.264 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 44.4 m-85 -87.49 -29.26 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 1.24 111.299 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.13 39.13 2.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.599 -0.81 . . . . 0.42 113.018 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' B' ' 55' ' ' SER . 46.6 p90 -140.01 166.1 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.705 -0.48 . . . . 1.23 109.705 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.79 151.24 21.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.674 -0.239 . . . . 2.33 110.828 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 65' ' ' VAL . 22.7 mtm180 -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.345 0.593 . . . . 3.67 109.871 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -75.82 4.53 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.484 -0.78 . . . . 3.19 111.207 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -112.39 -1.63 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.556 -0.293 . . . . 0.66 111.49 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.591 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -64.86 -33.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.53 111.02 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.64 -40.01 93.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.211 -0.45 . . . . 1.63 110.925 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.17 -37.9 82.15 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.977 -0.63 . . . . 0.74 112.031 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 64' ' ' ALA . 65.0 mt -61.73 -52.38 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.7 110.472 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 95.0 mt -63.85 -34.04 77.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 1.13 111.352 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' B' ' 75' ' ' LYS . . . -66.58 -34.31 87.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.946 -0.645 . . . . 1.24 112.329 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.23 -46.54 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 3.15 110.421 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -63.64 167.27 5.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 2.02 110.853 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 7.5 mm-40 -86.25 12.33 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.915 -0.584 . . . . 2.64 111.002 -175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -96.96 4.29 51.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 1.7 110.437 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 16.4 pttm -61.72 122.36 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.455 -0.793 . . . . 2.85 110.317 173.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.86 75.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.901 -0.666 . . . . 2.43 111.907 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.41 ' HG2' ' HD2' ' A' ' 88' ' ' ARG . 83.7 mm-40 -118.04 151.7 36.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.742 0.306 . . . . 3.28 110.438 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -120.97 146.65 46.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.382 . . . . 1.95 110.204 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.01 -55.69 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.794 0.33 . . . . 0.6 111.461 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.07 87.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.566 . . . . 0.63 111.848 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.68 -41.32 97.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.126 -0.488 . . . . 2.3 110.415 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 86' ' ' ALA . 32.5 mt -58.36 -50.89 77.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.518 -0.765 . . . . 0.61 111.127 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.92 -38.61 89.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.83 111.033 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.636 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 9.8 t30 -65.92 -39.87 90.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.169 -0.469 . . . . 1.83 110.727 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -70.61 -38.39 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.008 -0.542 . . . . 1.5 110.697 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . -93.44 33.58 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.559 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.6 p -77.29 134.66 38.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 3.09 110.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 6.1 ptm180 -92.16 164.7 13.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.482 -0.326 . . . . 5.55 110.751 -177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -116.57 94.68 44.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 3.58 109.818 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.51 126.38 13.41 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.006 2.47 . . . . 3.95 112.366 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -103.8 22.97 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.442 0.639 . . . . 5.08 110.424 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.417 -0.81 . . . . 4.13 109.499 -179.7 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.658 ' N ' ' HG ' ' A' ' 18' ' ' SER . 46.7 ttm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.295 -0.261 . . . . 6.45 110.295 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' A' ' 14' ' ' MET . 63.2 mtt 74.86 151.85 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.533 0.733 . . . . 4.73 111.9 177.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m 62.81 24.12 14.37 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.407 -0.815 . . . . 2.01 111.504 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 52.56 74.93 0.25 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.484 -0.78 . . . . 1.09 110.536 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' A' ' 14' ' ' MET . 7.3 m -72.77 162.64 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.681 -0.69 . . . . 1.32 110.342 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -53.6 -46.62 70.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 2.1 110.045 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 8.7 pt-20 -54.52 -45.1 73.27 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.401 -0.818 . . . . 1.57 111.731 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 55.5 mt-10 -70.09 -44.46 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.54 111.049 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.3 mt -64.25 -49.8 79.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.979 -0.555 . . . . 0.44 110.448 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.29 86.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.2 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.48 88.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.31 110.905 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.85 -39.06 87.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.258 -0.428 . . . . 0.46 110.691 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.5 mt -63.03 -51.38 72.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.27 111.294 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 32.1 m -67.93 -35.89 73.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.24 111.08 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -69.05 -32.45 71.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 1.59 109.988 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 33' ' ' ILE . 50.2 t80 -64.47 -52.27 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 1.25 110.388 174.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -60.31 -40.93 92.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 1.22 110.905 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -64.5 -34.5 78.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.127 -0.488 . . . . 1.15 110.5 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 8.6 t -72.7 -24.76 61.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.599 -0.273 . . . . 0.99 110.414 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 29' ' ' TYR . 59.4 mt -64.52 -52.58 53.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.716 0.294 . . . . 0.43 110.564 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.47 -29.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.47 110.088 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 32' ' ' SER . 31.7 tt0 -54.53 -54.92 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.189 -0.914 . . . . 2.22 111.224 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -95.86 18.28 13.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 2.08 111.584 -176.499 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 54.46 51.57 13.9 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.201 -0.908 . . . . 2.6 111.525 174.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -99.79 -2.33 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.219 0.533 . . . . 2.12 110.542 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.3 tt -133.17 151.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.497 -0.774 . . . . 0.51 110.037 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.58 176.34 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.514 -0.312 . . . . 1.82 110.781 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -52.66 -50.06 63.97 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.631 0.582 . . . . 2.19 112.433 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.72 -48.48 77.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 2.3 111.138 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -69.73 -35.94 74.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.725 -0.75 . . . . 0.39 112.392 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.36 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.619 0.247 . . . . 0.38 111.151 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -66.22 -31.13 71.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 1.84 110.726 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.98 109.881 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.3 mt -71.21 -23.13 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.41 111.183 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -70.17 -49.76 47.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.736 -0.211 . . . . 0.48 111.009 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.96 -39.1 84.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 110.084 -0.339 . . . . 0.36 110.084 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.35 -37.29 86.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.37 110.674 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.3 tpp -53.2 -50.34 64.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.871 -0.604 . . . . 0.65 111.426 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.88 -38.83 92.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.367 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.42 -41.29 80.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.168 -0.469 . . . . 1.05 111.629 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 50' ' ' ALA . 59.8 mt -60.28 -47.44 92.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.276 0.56 . . . . 0.34 109.73 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.8 m -62.42 -45.74 91.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.476 -0.784 . . . . 0.8 110.519 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.95 -43.44 98.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 2.66 111.311 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -59.46 -44.88 92.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.906 -0.588 . . . . 0.42 111.896 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -83.98 -27.26 28.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.024 0.44 . . . . 1.24 111.378 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.88 4.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.56 -0.828 . . . . 0.43 113.115 175.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' O ' ' HB3' ' A' ' 55' ' ' SER . 47.5 p90 -131.19 162.61 29.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.756 -0.461 . . . . 1.22 109.756 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.7 23.92 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.749 -0.463 . . . . 2.33 109.749 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 41.1 ttp180 -62.2 -26.98 68.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.895 -0.593 . . . . 3.67 110.808 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.49 -4.82 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 3.2 110.876 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.19 -8.0 46.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 0.67 111.098 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.0 p -61.24 -33.73 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.502 -0.317 . . . . 0.54 110.442 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.76 -34.92 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 1.63 110.168 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.08 46.93 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.824 -0.703 . . . . 0.76 111.669 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.82 -48.02 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.71 110.561 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.67 4.37 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.344 -0.389 . . . . 1.14 111.32 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.06 14.71 8.94 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.33 -0.708 . . . . 1.25 111.33 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.27 -49.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 3.16 110.249 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 21' ' ' GLU . 16.2 m -77.9 171.97 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 2.02 110.168 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.42 -23.62 60.16 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.711 1.004 . . . . 2.64 113.711 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -88.59 59.35 5.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 1.7 112.066 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -97.87 135.8 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 2.85 109.663 174.1 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.47 140.36 10.45 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.763 -0.732 . . . . 2.42 112.104 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' HG3' ' NH1' ' B' ' 88' ' ' ARG . 32.4 mm-40 66.35 -179.48 0.2 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.321 0.581 . . . . 3.28 111.628 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -109.99 169.67 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.293 -0.632 . . . . 1.96 109.293 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.6 tp -56.27 -43.93 79.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.6 110.52 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.9 82.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.859 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.24 -42.24 81.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.289 0.566 . . . . 2.3 109.966 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 69.6 mt -58.29 -49.19 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.61 110.553 176.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.48 -29.99 70.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.894 -0.594 . . . . 0.83 111.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -60.0 -43.27 95.3 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.971 0.415 . . . . 1.83 110.595 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 p -86.26 -24.73 25.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.812 -0.631 . . . . 1.5 111.625 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.05 55.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.218 0.532 . . . . 1.71 111.416 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -85.89 93.39 8.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.119 -0.491 . . . . 3.09 109.963 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.474 ' NH1' ' HG3' ' B' ' 77' ' ' GLN . 69.8 mtt180 -70.98 132.23 44.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 5.55 111.925 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.47 87.98 51.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 3.58 109.686 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.39 105.07 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.948 2.432 . . . . 3.95 112.396 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.52 129.48 34.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.077 -0.51 . . . . 5.08 110.729 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.757 -0.64 . . . . 4.12 109.758 -179.554 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.643 ' N ' ' HG ' ' B' ' 18' ' ' SER . 46.8 ttm . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.358 -0.238 . . . . 6.44 110.358 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' B' ' 14' ' ' MET . 63.3 mtt 74.75 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.877 0.736 . . . . 4.73 112.033 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.1 m 62.73 24.41 14.53 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.283 -0.872 . . . . 2.01 111.457 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 52.42 74.62 0.27 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.414 -0.812 . . . . 1.09 110.658 -175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.643 ' HG ' ' N ' ' B' ' 14' ' ' MET . 8.2 m -72.42 162.74 29.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.381 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.8 -46.63 71.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.45 . . . . 2.1 110.022 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 8.8 pt-20 -54.43 -45.25 72.98 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.228 -0.896 . . . . 1.58 111.678 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.0 mt-10 -69.87 -44.6 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.54 111.107 -174.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.514 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.3 mt -64.25 -49.83 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.942 -0.572 . . . . 0.44 110.428 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.18 85.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.2 110.9 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.51 88.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.31 110.893 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.91 -38.99 87.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.46 110.693 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 22' ' ' ILE . 77.3 mt -63.11 -51.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.27 111.361 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 31.6 m -68.04 -35.87 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.015 -0.274 . . . . 0.23 110.979 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.98 -32.56 72.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 1.58 109.987 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.488 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.8 t80 -64.47 -52.22 59.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.938 -0.574 . . . . 1.25 110.422 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.21 -41.11 92.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 1.22 110.816 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.061 -0.518 . . . . 1.15 110.474 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 8.7 t -72.87 -24.71 60.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.61 -0.268 . . . . 0.99 110.447 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 29' ' ' TYR . 59.0 mt -64.43 -52.53 54.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.44 110.566 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.54 -29.71 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.247 0.546 . . . . 0.47 110.111 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' B' ' 32' ' ' SER . 31.4 tt0 -54.52 -54.8 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.164 -0.925 . . . . 2.22 111.214 176.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.1 OUTLIER -95.91 18.26 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 2.08 111.603 -176.561 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.0 tptt 54.41 51.55 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.175 -0.921 . . . . 2.6 111.498 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 16.3 mm-40 -99.89 -2.09 35.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.547 . . . . 2.11 110.51 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.4 tt -133.26 151.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.543 -0.753 . . . . 0.52 109.881 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.77 176.16 7.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.353 -0.385 . . . . 1.82 110.767 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.48 -50.08 63.41 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.581 0.586 . . . . 2.19 112.581 -172.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.77 -48.5 77.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.904 0.383 . . . . 2.29 111.057 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -69.71 -36.02 74.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.612 -0.804 . . . . 0.39 112.403 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.09 70.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.533 0.206 . . . . 0.38 111.115 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -66.31 -31.45 72.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.937 0.398 . . . . 1.84 110.661 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -65.57 -38.82 90.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.98 110.007 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.09 -23.17 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.41 111.177 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.11 -49.89 46.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.728 -0.215 . . . . 0.48 111.015 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.82 -38.92 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.81 -0.356 . . . . 0.36 110.167 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.583 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.63 -37.23 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.37 110.69 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.467 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -53.22 -50.22 65.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.987 -0.552 . . . . 0.65 111.477 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.79 -38.91 92.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 1.99 110.542 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 81.6 m -68.38 -41.14 80.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 1.05 111.675 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 50' ' ' ALA . 59.4 mt -60.32 -47.47 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.226 0.536 . . . . 0.33 109.784 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.6 m -62.34 -45.99 90.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.8 110.521 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.77 -43.57 97.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 2.66 111.262 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.41 111.773 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -83.95 -27.1 28.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 1.24 111.402 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.73 36.33 4.31 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.72 -0.752 . . . . 0.42 113.083 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' B' ' 55' ' ' SER . 47.1 p90 -131.54 162.57 29.97 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.895 -0.409 . . . . 1.23 109.895 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.6 23.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.145 -0.479 . . . . 2.33 109.821 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.459 ' O ' HG12 ' B' ' 65' ' ' VAL . 41.0 ttp180 -62.09 -27.0 68.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 3.67 110.866 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.47 -4.87 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.366 . . . . 3.19 110.868 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.14 -7.81 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.66 111.025 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.0 p -61.37 -33.79 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.53 110.461 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -63.79 -34.69 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.63 110.171 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.84 -42.11 46.9 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.87 -0.681 . . . . 0.74 111.745 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.86 -47.86 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.7 110.514 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.97 4.65 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 1.13 111.246 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.51 15.23 8.62 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.289 -0.724 . . . . 1.24 111.289 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.5 -49.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.953 0.406 . . . . 3.15 110.271 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 16.2 m -77.85 172.04 14.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.615 . . . . 2.02 110.094 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.52 -23.58 60.03 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.782 1.03 . . . . 2.64 113.782 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -88.59 59.34 5.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.272 0.558 . . . . 1.7 111.987 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -97.98 135.73 39.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.734 -0.666 . . . . 2.85 109.695 173.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.76 140.17 10.28 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 2.43 112.029 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.474 ' HG3' ' NH1' ' A' ' 88' ' ' ARG . 31.9 mm-40 66.39 -179.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.359 0.599 . . . . 3.28 111.687 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -110.01 169.65 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.602 . . . . 1.95 109.436 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.2 -43.91 78.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.439 . . . . 0.6 110.644 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.03 82.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.63 111.778 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -57.15 -42.19 80.58 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.372 0.606 . . . . 2.3 109.969 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.24 -49.29 82.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.214 -0.903 . . . . 0.61 110.568 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.6 -29.95 70.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.59 . . . . 0.83 111.26 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.95 -43.34 95.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.048 0.451 . . . . 1.83 110.605 176.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.4 p -86.36 -24.47 25.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 1.5 111.572 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.21 55.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.181 0.515 . . . . 1.7 111.319 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -85.86 93.3 8.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.214 -0.448 . . . . 3.09 110.035 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' A' ' 77' ' ' GLN . 69.9 mtt180 -71.03 132.22 44.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 5.55 111.873 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.3 87.79 51.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.578 -0.737 . . . . 3.58 109.755 176.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.26 105.31 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.869 2.379 . . . . 3.95 112.321 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.66 129.14 34.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.069 -0.514 . . . . 5.08 110.703 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.715 -0.659 . . . . 4.13 109.863 -179.473 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.642 0.258 . . . . 6.45 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 61.4 mtt -150.0 -62.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 4.73 109.871 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 p -157.0 166.0 34.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.512 -0.767 . . . . 2.01 109.153 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . -138.42 67.05 1.42 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.127 0.489 . . . . 1.09 110.476 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.41 151.57 30.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.896 -0.593 . . . . 1.32 109.449 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 18.9 pttm -53.01 -42.9 66.09 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.945 0.339 . . . . 2.1 111.74 -175.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.52 -39.22 83.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.796 0.331 . . . . 1.57 111.674 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 41.1 mt-10 -70.46 -38.1 74.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.458 0.647 . . . . 1.54 110.36 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.6 mt -68.52 -47.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.201 -0.908 . . . . 0.44 110.571 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.65 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.2 110.701 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -56.12 -51.07 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.31 110.826 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.56 -35.52 77.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.613 0.244 . . . . 0.46 110.992 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.4 mt -60.15 -54.07 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.251 -0.431 . . . . 0.27 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.38 -30.12 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.24 110.907 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.76 -44.35 93.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.59 110.064 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CE2' HD11 ' A' ' 33' ' ' ILE . 52.5 t80 -60.98 -49.04 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.25 110.957 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CB ' ' HE1' ' A' ' 51' ' ' MET . 21.2 m-85 -57.74 -43.91 85.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 1.22 110.606 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 m -66.64 -28.72 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.938 -0.573 . . . . 1.15 110.715 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 t -73.6 -32.87 64.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.99 110.462 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 29' ' ' TYR . 53.2 mt -65.33 -43.46 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.43 110.424 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.75 -19.76 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.47 110.767 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.64 -45.49 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.22 110.066 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -93.01 -9.54 39.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.396 0.617 . . . . 2.08 110.649 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.44 58.71 3.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.573 -1.194 . . . . 2.6 111.16 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -89.91 -30.02 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.837 -0.801 . . . . 2.12 108.837 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 tt -87.27 155.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.157 -0.929 . . . . 0.51 110.637 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.26 146.76 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.82 110.176 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.76 -27.67 69.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.386 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -44.04 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.029 0.442 . . . . 2.3 110.264 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -69.77 -33.77 71.43 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.39 112.02 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -37.66 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.967 0.413 . . . . 0.38 110.293 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.93 -42.86 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.305 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -29.45 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.908 0.385 . . . . 0.98 110.639 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 72.5 mt -70.29 -27.54 64.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.481 -0.327 . . . . 0.41 110.492 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.31 -54.9 29.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.618 -0.264 . . . . 0.48 110.828 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.7 -37.12 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.981 0.419 . . . . 0.36 110.252 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.69 -34.42 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.37 110.987 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.555 ' HE1' ' CB ' ' A' ' 30' ' ' PHE . 12.4 tpp -58.21 -52.29 66.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.65 111.082 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.76 -31.64 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 1.99 110.85 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.8 m -62.89 -48.22 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 1.05 110.568 175.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.6 mt -59.61 -45.3 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.223 0.535 . . . . 0.34 110.077 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 22.0 m -61.31 -48.55 80.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.412 -0.813 . . . . 0.8 111.219 -178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -65.41 -40.9 93.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 2.66 110.841 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.74 84.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 0.42 111.588 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 19' ' ' LYS . 26.5 m-85 -85.35 -17.65 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.222 -0.445 . . . . 1.24 111.375 -177.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.04 43.98 6.15 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.073 -0.584 . . . . 0.43 113.217 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.1 p90 -140.25 159.53 41.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 1.22 110.223 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.66 148.22 22.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.017 -0.538 . . . . 2.33 110.616 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -64.45 -18.5 64.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 3.67 111.488 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -96.66 -1.94 45.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.284 -0.417 . . . . 3.2 110.75 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.47 -0.19 30.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.79 -35.63 65.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.945 -0.57 . . . . 0.54 110.86 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 p -64.63 -36.05 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 1.63 110.751 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.12 -38.09 82.91 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.934 -0.651 . . . . 0.76 111.856 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.21 -41.19 88.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.019 0.438 . . . . 0.71 110.277 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.84 -1.27 16.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 1.14 110.997 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.78 -2.85 46.32 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.96 -0.638 . . . . 1.25 111.736 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -81.25 -45.17 16.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 3.16 110.346 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.3 m -125.43 -154.87 0.64 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.607 -0.724 . . . . 2.02 110.045 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.99 -112.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.123 0.264 . . . . 2.64 110.685 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 52.13 41.64 30.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.147 0.499 . . . . 1.7 110.934 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HB2' ' OE1' ' B' ' 91' ' ' GLU . 18.2 ptpt -138.97 164.51 29.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.827 -0.624 . . . . 2.85 110.663 -174.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.09 -53.57 4.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.195 -0.526 . . . . 2.42 112.117 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -101.98 142.42 33.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.868 -0.419 . . . . 3.28 109.868 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -79.24 173.87 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.257 -0.646 . . . . 1.96 109.257 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.2 tp -54.46 -47.94 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.844 0.354 . . . . 0.6 110.641 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.96 95.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.63 111.678 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.9 -42.02 88.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.348 0.594 . . . . 2.3 109.935 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' B' ' 86' ' ' ALA . 50.9 mt -63.45 -49.41 82.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.129 -0.942 . . . . 0.61 111.437 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 79' ' ' LEU . 8.4 mp -62.99 -40.9 99.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.83 112.123 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 17' ' ' ALA . 56.0 t30 -70.55 -44.34 67.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.806 0.336 . . . . 1.83 111.48 -176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.6 p -71.37 -6.46 40.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.506 0.558 . . . . 1.5 112.506 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' B' ' 82' ' ' ILE . . . -72.74 62.08 0.56 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.246 0.832 . . . . 1.71 113.246 -173.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t 59.0 -167.32 0.16 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.517 0.675 . . . . 3.09 112.104 170.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 88' ' ' ARG . 31.0 mtt180 -126.21 135.45 51.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.268 -0.878 . . . . 5.55 109.613 172.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG11 ' HA3' ' B' ' 76' ' ' GLY . 44.7 t -130.2 90.49 41.74 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.406 -0.361 . . . . 3.58 110.511 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.3 87.75 1.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.753 2.302 . . . . 3.95 112.008 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' B' ' 75' ' ' LYS . 43.9 mt-10 -68.52 106.75 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 5.08 110.271 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.511 -0.757 . . . . 4.12 110.451 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.378 -0.231 . . . . 6.44 110.378 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 61.2 mtt -149.97 -62.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 4.73 109.979 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 p -157.17 165.99 34.45 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.464 -0.789 . . . . 2.01 109.023 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 84' ' ' ASN . . . -138.42 67.33 1.41 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.217 0.532 . . . . 1.09 110.377 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.63 151.53 30.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.883 -0.599 . . . . 1.33 109.53 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 58' ' ' PHE . 18.9 pttm -53.0 -42.78 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.875 0.307 . . . . 2.1 111.788 -175.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.55 -39.3 83.55 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.693 0.282 . . . . 1.58 111.667 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 41.2 mt-10 -70.35 -38.36 74.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 1.54 110.432 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.468 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.4 mt -68.19 -47.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.44 110.542 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.75 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.2 110.675 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -56.11 -51.18 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.31 110.825 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.35 -35.58 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.978 -0.289 . . . . 0.46 111.064 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.4 mt -60.08 -54.06 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.27 111.056 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.23 -30.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.707 0.289 . . . . 0.23 110.903 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.74 -44.29 93.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.58 110.057 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' B' ' 33' ' ' ILE . 52.3 t80 -61.04 -49.11 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 1.25 110.853 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.553 ' CB ' ' HE1' ' B' ' 51' ' ' MET . 21.2 m-85 -57.71 -43.84 85.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 1.22 110.666 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.5 m -66.72 -28.68 68.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.873 -0.603 . . . . 1.15 110.625 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -73.65 -32.93 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.852 0.358 . . . . 0.99 110.486 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' B' ' 29' ' ' TYR . 53.1 mt -65.2 -43.54 95.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 0.44 110.385 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.67 -19.69 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.47 110.813 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.69 -45.68 88.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.12 0.486 . . . . 2.22 110.003 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -92.97 -9.26 40.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.45 0.643 . . . . 2.08 110.764 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.33 58.58 3.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.559 -1.201 . . . . 2.6 111.177 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.9 -29.93 18.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.868 -0.79 . . . . 2.11 108.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.2 tt -87.39 155.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.083 -0.962 . . . . 0.52 110.647 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.24 146.62 50.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.848 -0.614 . . . . 1.82 110.174 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.72 -27.63 69.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.407 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.4 -44.13 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.438 . . . . 2.29 110.187 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.459 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -69.82 -33.69 71.08 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.604 -0.726 . . . . 0.39 112.039 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.64 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.423 . . . . 0.38 110.264 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.82 -42.86 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.647 -0.706 . . . . 1.84 111.398 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -29.36 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.87 0.366 . . . . 0.98 110.65 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 72.7 mt -70.2 -27.63 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.501 -0.318 . . . . 0.41 110.623 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.19 -55.08 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.586 -0.279 . . . . 0.48 110.87 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.49 -37.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.946 0.403 . . . . 0.36 110.348 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.508 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.78 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.908 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.553 ' HE1' ' CB ' ' B' ' 30' ' ' PHE . 12.5 tpp -58.26 -52.46 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.65 110.931 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.61 -31.68 71.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.871 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 83.4 m -62.9 -48.13 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.533 -0.303 . . . . 1.05 110.489 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.6 mt -59.63 -45.41 94.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.305 0.574 . . . . 0.33 110.094 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 22.0 m -61.24 -48.55 80.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.439 -0.8 . . . . 0.8 111.274 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -65.46 -40.78 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 2.66 110.847 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.98 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.41 111.631 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' B' ' 19' ' ' LYS . 26.9 m-85 -85.21 -17.56 36.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.441 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 44.24 6.11 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.967 -0.635 . . . . 0.42 113.241 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.0 p90 -140.6 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.94 0.37 . . . . 1.23 110.274 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -92.39 148.15 22.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.146 -0.479 . . . . 2.33 110.584 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -64.45 -18.23 64.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.689 -0.687 . . . . 3.67 111.431 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.86 -1.95 44.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.062 0.458 . . . . 3.19 110.699 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 -0.33 30.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.66 110.989 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.62 -35.62 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.866 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -64.68 -35.86 82.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 1.63 110.837 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.26 -38.02 81.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.018 -0.61 . . . . 0.74 111.936 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.26 -41.24 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.7 110.296 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.76 -1.49 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 1.13 111.03 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.7 -2.94 46.61 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.934 -0.651 . . . . 1.24 111.715 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -81.14 -45.25 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 3.15 110.374 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.1 m -125.48 -155.01 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.681 -0.69 . . . . 2.02 109.985 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.76 -112.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.544 0.211 . . . . 2.64 110.676 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 52.04 41.71 29.99 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.234 0.54 . . . . 1.7 110.964 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.401 ' HB2' ' OE1' ' A' ' 91' ' ' GLU . 18.2 ptpt -139.04 164.3 30.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.617 . . . . 2.85 110.616 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' A' ' 89' ' ' VAL . . . 79.15 -53.36 4.15 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.267 -0.492 . . . . 2.43 112.093 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -102.07 142.39 33.42 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.851 -0.426 . . . . 3.28 109.851 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -79.21 173.88 12.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.23 -0.655 . . . . 1.95 109.23 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -54.61 -47.92 72.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.724 0.297 . . . . 0.6 110.634 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.06 96.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.385 -0.371 . . . . 0.63 111.638 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -58.86 -42.0 88.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.346 0.594 . . . . 2.3 109.95 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' ALA . 50.7 mt -63.45 -49.37 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.153 -0.93 . . . . 0.61 111.493 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 79' ' ' LEU . 8.4 mp -63.09 -40.79 98.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.949 -0.569 . . . . 0.83 112.134 -176.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.469 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 56.3 t30 -70.67 -44.14 67.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.587 -0.278 . . . . 1.83 111.384 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -72.78 -3.68 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.438 0.533 . . . . 1.5 112.438 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -74.45 62.06 0.97 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.083 0.771 . . . . 1.7 113.083 -174.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t 58.82 -167.19 0.16 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.504 0.668 . . . . 3.09 112.143 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' B' ' 88' ' ' ARG . 31.3 mtt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 5.55 109.517 173.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 44.5 t -130.44 90.27 41.7 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 3.58 110.509 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.25 87.86 1.49 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.79 2.326 . . . . 3.95 111.89 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.424 ' OE1' ' HB2' ' A' ' 75' ' ' LYS . 42.9 mt-10 -68.62 106.77 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 5.08 110.255 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.519 -0.753 . . . . 4.13 110.413 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.933 0.396 . . . . 6.45 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 66.4 mtt 63.41 -172.47 0.17 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.928 -0.578 . . . . 4.73 111.518 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m 56.36 78.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.142 -0.935 . . . . 2.01 112.035 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 126.38 29.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.567 -0.531 . . . . 1.09 109.567 173.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -76.29 165.29 25.08 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.107 -0.331 . . . . 1.32 110.107 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -50.72 -54.3 24.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.782 0.325 . . . . 2.1 111.418 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.0 pt-20 -58.13 -35.06 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 1.57 111.595 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 56.1 mt-10 -76.81 -36.63 56.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.566 . . . . 1.54 110.745 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 90.9 mt -65.03 -49.66 78.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.44 109.743 174.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.71 76.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.2 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.52 -43.83 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.692 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 74' ' ' PHE . 42.5 mt -70.65 -34.67 72.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.448 -0.342 . . . . 0.46 111.119 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -61.66 -51.08 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.27 110.641 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.8 m -71.61 -29.18 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.24 110.647 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -62.0 -43.61 98.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.307 -0.406 . . . . 1.59 110.483 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' A' ' 33' ' ' ILE . 29.4 t80 -58.62 -51.43 69.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 1.25 110.357 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 23.2 m-85 -61.04 -42.24 98.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 1.22 110.735 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -60.59 -41.85 95.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.15 110.496 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -65.43 -39.58 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.99 110.429 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.1 mt -58.4 -50.89 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.43 110.951 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.89 -24.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.427 -0.352 . . . . 0.47 111.144 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.55 -44.82 93.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 2.22 111.027 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -100.16 9.78 42.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 2.08 111.146 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.74 61.52 3.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.005 -0.998 . . . . 2.6 110.613 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.83 -9.62 36.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.265 -0.88 . . . . 2.12 109.28 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 15.4 tt -120.75 160.02 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.846 -1.07 . . . . 0.51 109.849 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -70.77 155.57 40.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 1.82 110.222 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.39 -43.89 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.864 0.32 . . . . 2.19 111.864 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.38 -34.84 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 2.3 110.753 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -74.18 -36.05 51.78 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.98 -0.629 . . . . 0.39 111.746 178.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.59 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.157 0.504 . . . . 0.38 109.98 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.43 -45.59 83.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.345 -0.843 . . . . 1.84 111.107 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.3 -30.41 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.98 110.835 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 66.7 mt -70.61 -19.84 62.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.499 -0.318 . . . . 0.41 111.206 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -73.84 -49.6 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.452 0.168 . . . . 0.48 110.703 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.5 -31.2 52.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.099 0.476 . . . . 0.36 109.971 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -66.73 -42.76 85.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.37 110.346 174.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.5 tpp -50.67 -48.67 58.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.718 -0.674 . . . . 0.65 111.479 -176.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.25 -50.03 69.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.632 -0.713 . . . . 1.99 111.654 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 50' ' ' ALA . 6.2 p -71.3 -36.29 71.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 50' ' ' ALA . 86.1 mt -59.55 -51.58 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.4 0.619 . . . . 0.34 109.859 175.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -63.41 -41.38 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.208 -0.905 . . . . 0.8 110.408 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.64 -33.19 73.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.527 . . . . 2.66 111.073 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.95 70.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.359 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -77.28 -17.6 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.063 -0.517 . . . . 1.24 111.417 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.26 43.81 4.54 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.762 -0.732 . . . . 0.43 113.21 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.45 173.22 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.759 -0.46 . . . . 1.22 109.759 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.37 153.24 26.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.022 0.439 . . . . 2.33 110.868 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.89 -18.91 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.421 -0.809 . . . . 3.67 111.223 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -83.99 -5.85 59.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 3.2 111.018 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 1.66 23.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.713 0.292 . . . . 0.67 111.177 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 7.7 p -62.16 -40.09 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 0.54 111.25 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -66.53 -37.15 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 1.63 110.698 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.64 94.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.909 -0.663 . . . . 0.76 111.843 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -45.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.657 0.265 . . . . 0.71 110.667 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 93.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 1.14 111.309 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.16 -31.82 80.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 1.25 111.987 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -79.89 -35.42 38.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.783 0.325 . . . . 3.16 110.998 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -73.77 -175.36 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 2.02 111.862 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 22.0 mm-40 -65.51 -44.87 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.059 -0.519 . . . . 2.64 110.627 175.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.8 m-85 -95.97 69.9 2.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 1.7 111.983 -164.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.591 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -96.39 120.88 37.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.952 -0.567 . . . . 2.85 109.687 172.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.69 6.24 60.93 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.941 -0.647 . . . . 2.42 111.63 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -127.33 143.37 51.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.983 -0.377 . . . . 3.28 109.983 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.06 159.22 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.085 -0.709 . . . . 1.96 109.085 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 54.6 tp -54.27 -43.85 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.103 0.478 . . . . 0.6 110.934 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -65.65 -31.28 72.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.63 112.102 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.419 0.628 . . . . 2.3 109.629 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 98.0 mt -59.1 -53.33 49.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.799 -1.091 . . . . 0.61 110.948 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.47 -26.0 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.83 111.532 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.49 -34.84 65.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 1.83 110.637 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -85.58 -17.59 35.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.5 110.981 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 15' ' ' MET . . . -84.63 157.54 21.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.544 -0.298 . . . . 1.71 110.675 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.5 t -151.18 141.66 22.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 3.09 110.735 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' B' ' 73' ' ' GLU . 22.8 mmt180 -142.01 92.82 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.895 -0.593 . . . . 5.55 110.0 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.2 t -105.9 117.74 56.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.987 -0.552 . . . . 3.58 109.635 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.79 155.54 34.85 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.542 2.161 . . . . 3.95 112.86 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.94 154.61 31.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.724 . . . . 5.08 109.823 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.847 -0.597 . . . . 4.12 111.044 -177.063 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.914 0.388 . . . . 6.44 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 66.6 mtt 63.11 -172.5 0.16 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.938 -0.574 . . . . 4.73 111.55 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.9 m 56.47 78.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.199 -0.91 . . . . 2.01 112.084 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.26 126.36 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.628 -0.508 . . . . 1.09 109.628 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -76.1 165.12 25.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.077 -0.342 . . . . 1.33 110.077 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.61 -54.49 22.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.932 0.396 . . . . 2.1 111.366 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 10.0 pt-20 -58.06 -35.22 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 1.58 111.472 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.2 mt-10 -76.75 -36.58 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.538 . . . . 1.54 110.706 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.522 ' O ' HG13 ' B' ' 26' ' ' ILE . 91.3 mt -65.0 -49.71 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.729 174.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.8 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.508 -0.769 . . . . 0.2 111.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.91 84.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.31 110.687 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' B' ' 74' ' ' PHE . 42.7 mt -70.58 -34.71 72.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.497 -0.319 . . . . 0.46 111.153 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.1 mt -61.67 -51.13 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.019 -0.537 . . . . 0.27 110.653 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.8 m -71.56 -29.12 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.573 -0.285 . . . . 0.23 110.579 178.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.11 -43.49 98.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.426 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' B' ' 33' ' ' ILE . 29.3 t80 -58.7 -51.47 69.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 1.25 110.357 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 23.1 m-85 -61.03 -42.2 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 1.22 110.825 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.6 t -60.68 -41.89 96.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 1.15 110.339 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -65.35 -39.55 92.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.99 110.455 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 29' ' ' TYR . 61.3 mt -58.37 -50.84 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.44 111.019 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.05 -24.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 0.47 111.221 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.76 -44.87 92.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.22 110.999 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -100.08 9.59 42.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.066 0.46 . . . . 2.08 111.178 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.99 61.19 3.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.018 -0.992 . . . . 2.6 110.687 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.6 -9.69 37.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 2.11 109.208 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 15.4 tt -120.59 160.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.95 -1.023 . . . . 0.52 109.818 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -70.83 155.6 40.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.18 -0.304 . . . . 1.82 110.18 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.33 -44.08 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.718 0.294 . . . . 2.19 111.79 -174.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.08 -34.94 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 2.29 110.791 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -74.15 -36.19 51.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.011 -0.614 . . . . 0.39 111.727 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.67 81.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.312 0.577 . . . . 0.38 110.038 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.32 -45.57 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.267 -0.879 . . . . 1.84 110.965 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.45 -30.36 70.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.98 110.83 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 66.6 mt -70.61 -20.0 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.41 111.168 175.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -73.77 -49.54 24.94 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.265 -0.174 . . . . 0.48 110.751 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.35 -31.5 53.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.014 0.435 . . . . 0.36 109.967 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' B' ' 53' ' ' CYS . . . -66.57 -42.73 86.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.37 110.316 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.5 tpp -50.74 -48.62 59.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.65 111.493 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.38 -50.0 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 1.99 111.525 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' B' ' 50' ' ' ALA . 6.2 p -71.33 -36.16 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 50' ' ' ALA . 86.9 mt -59.75 -51.42 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.3 0.571 . . . . 0.33 109.8 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.44 -41.33 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.276 -0.874 . . . . 0.8 110.403 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.67 -33.33 73.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 2.66 110.959 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.78 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.41 111.382 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -77.45 -17.4 58.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.387 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 44.1 4.56 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.72 -0.753 . . . . 0.42 113.198 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.61 173.25 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.39 153.29 26.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.051 0.453 . . . . 2.33 110.782 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.91 -18.93 64.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.304 -0.862 . . . . 3.67 111.133 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.15 -5.64 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.808 0.337 . . . . 3.19 111.019 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.63 1.71 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.317 . . . . 0.66 111.248 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 7.8 p -62.2 -40.11 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.53 111.206 -176.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -66.54 -36.95 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.78 0.324 . . . . 1.63 110.687 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.5 -43.91 93.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.93 -0.653 . . . . 0.74 111.837 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.75 0.31 . . . . 0.7 110.689 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 93.8 mt -63.09 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.13 111.223 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.21 -31.96 80.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.901 -0.666 . . . . 1.24 111.967 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -79.68 -35.46 39.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.742 0.306 . . . . 3.15 111.048 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.74 -175.45 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.027 0.441 . . . . 2.02 111.831 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' B' ' 75' ' ' LYS . 21.8 mm-40 -65.39 -44.97 85.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.206 0.527 . . . . 2.64 110.656 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' B' ' 25' ' ' LEU . 12.3 m-85 -95.77 69.92 2.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.756 -0.656 . . . . 1.7 111.974 -164.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -96.58 121.08 38.01 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.964 -0.562 . . . . 2.85 109.744 172.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.37 61.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.947 -0.644 . . . . 2.43 111.595 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.99 143.61 51.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.062 -0.347 . . . . 3.28 110.062 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -97.13 159.19 15.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.138 -0.69 . . . . 1.95 109.138 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 54.9 tp -54.3 -43.82 71.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.135 0.493 . . . . 0.6 110.932 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' B' ' 29' ' ' TYR . . . -65.48 -31.44 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.63 112.126 -176.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -60.36 -39.91 88.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.461 0.648 . . . . 2.3 109.603 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 98.0 mt -59.14 -53.46 47.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.885 -1.052 . . . . 0.61 110.9 176.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.5 -25.84 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.83 111.512 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -73.5 -34.91 65.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.411 -0.359 . . . . 1.83 110.7 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.4 t -85.47 -17.72 35.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.5 110.918 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' MET . . . -84.74 157.54 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.678 0.275 . . . . 1.7 110.647 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.6 t -151.13 141.84 22.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.864 0.364 . . . . 3.09 110.647 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 22.9 mmt180 -142.2 92.79 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 5.55 110.075 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 54.3 t -105.89 117.81 56.76 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.073 -0.512 . . . . 3.58 109.708 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.84 155.46 34.58 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.605 2.203 . . . . 3.95 112.91 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.91 154.3 32.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.738 -0.664 . . . . 5.08 109.852 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.831 -0.604 . . . . 4.13 111.166 -177.062 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.779 ' N ' ' HG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.373 0.13 . . . . 6.45 111.007 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt 67.9 16.71 9.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.151 0.58 . . . . 4.73 111.796 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -143.84 26.5 1.54 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.63 -0.714 . . . . 2.01 110.336 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 48.97 51.41 16.17 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.899 -0.591 . . . . 1.09 109.686 -170.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.779 ' HG ' ' N ' ' A' ' 14' ' ' MET . 18.1 m -71.8 163.75 27.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.423 -0.808 . . . . 1.32 110.907 -176.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -51.95 -46.41 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.219 0.533 . . . . 2.1 110.608 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -57.55 -41.51 81.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.029 -0.987 . . . . 1.57 111.69 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.563 ' CD ' ' HA ' ' A' ' 14' ' ' MET . 43.1 mt-10 -68.82 -44.02 74.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 1.54 110.504 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 26' ' ' ILE . 48.3 mt -64.35 -49.56 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.44 110.515 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.7 77.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.2 111.087 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.1 86.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 0.31 110.745 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 97.7 mt -68.1 -34.09 75.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.46 110.859 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.0 mt -63.63 -52.18 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.079 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.13 -27.13 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.24 110.472 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -62.89 -47.12 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.59 110.366 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' O ' HG13 ' A' ' 33' ' ' ILE . 39.7 t80 -58.68 -51.46 69.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 1.25 110.887 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.88 -41.47 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.264 -0.426 . . . . 1.22 110.876 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -63.32 -35.54 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 1.15 110.902 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.5 m -64.36 -38.15 90.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.745 0.307 . . . . 0.99 110.859 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.2 mt -68.09 -43.97 84.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.936 0.398 . . . . 0.43 110.964 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.14 -30.89 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.47 111.392 -176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.32 -37.86 88.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.524 -0.307 . . . . 2.22 111.068 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 32' ' ' SER . 46.7 pttt -90.48 1.78 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 2.08 111.048 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 55.27 48.62 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.415 -0.811 . . . . 2.6 110.787 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -93.09 -28.86 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.451 0.644 . . . . 2.12 109.79 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.4 tt -93.84 151.38 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.252 -0.885 . . . . 0.51 109.796 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 m -64.33 153.02 39.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.467 -0.333 . . . . 1.82 111.249 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.59 -47.27 63.6 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.085 0.402 . . . . 2.19 112.085 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.87 -45.64 86.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.544 -0.298 . . . . 2.3 111.061 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.4 96.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.033 -0.603 . . . . 0.39 112.024 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -47.2 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 0.38 110.692 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.83 -36.42 82.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.865 -0.607 . . . . 1.84 110.668 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.2 t -62.8 -39.66 94.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.98 110.08 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.73 -25.97 66.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.41 111.309 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -67.34 -52.88 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.781 -0.19 . . . . 0.48 111.245 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.53 -34.82 72.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.36 109.949 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.78 -42.1 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 0.37 110.478 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.5 ttm -67.76 -36.54 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.65 111.436 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.4 -33.82 76.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.521 . . . . 1.99 109.822 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.8 m -72.0 -46.21 58.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.491 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.3 mt -55.7 -53.63 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.113 0.482 . . . . 0.34 110.507 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 14.0 p -60.05 -46.67 88.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.646 -0.706 . . . . 0.8 111.553 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.61 -33.28 74.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 2.66 111.065 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -35.26 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.42 111.543 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 51.5 m-85 -94.61 -20.86 19.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 1.24 111.041 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 43.94 2.1 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.811 -0.709 . . . . 0.43 113.555 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' SER . 50.7 p90 -150.14 179.9 7.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.04 0.42 . . . . 1.22 110.012 175.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.72 169.9 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.32 -0.252 . . . . 2.33 110.32 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.677 ' O ' HG12 ' A' ' 65' ' ' VAL . 68.1 ttt180 -60.79 -45.34 94.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.75 0.278 . . . . 3.67 111.75 -174.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -67.96 -9.54 46.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.747 0.277 . . . . 3.2 111.747 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -82.57 -14.16 55.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.741 -0.209 . . . . 0.67 111.397 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 62' ' ' ARG . 8.6 p -60.55 -35.21 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.843 0.354 . . . . 0.54 110.776 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -62.36 -35.3 78.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.63 110.527 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.27 -41.07 27.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.967 -0.635 . . . . 0.76 111.975 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 64' ' ' ALA . 58.7 mt -61.14 -45.18 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.336 . . . . 0.71 110.303 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 72' ' ' SER . 87.5 mt -72.87 -0.9 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 1.14 111.439 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.03 -25.86 10.09 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.792 -0.718 . . . . 1.25 111.691 175.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.39 -24.52 13.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.047 0.451 . . . . 3.16 111.056 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 69' ' ' LEU . 57.3 p -75.18 173.7 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 2.02 111.215 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -90.8 13.09 17.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.877 -0.601 . . . . 2.64 110.782 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CG ' HD11 ' A' ' 25' ' ' LEU . 80.6 m-85 -115.78 48.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.389 0.614 . . . . 1.7 109.867 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.495 ' HB2' ' HD2' ' B' ' 90' ' ' PRO . 29.4 mtpp -77.35 -23.35 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.446 -0.797 . . . . 2.85 110.46 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -114.5 133.15 10.9 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.977 -0.63 . . . . 2.42 111.684 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' GLY . 51.9 mt-30 72.53 134.15 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.602 0.715 . . . . 3.28 111.312 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -84.22 -177.19 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.65 -0.705 . . . . 1.96 109.271 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 38.0 tp -55.25 -54.17 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.6 111.289 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.17 -30.82 71.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.327 -0.397 . . . . 0.63 111.402 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -65.27 -43.53 90.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.54 0.686 . . . . 2.3 109.572 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.08 -50.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.848 -1.069 . . . . 0.61 110.798 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.83 111.082 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -69.7 -17.94 63.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.269 0.557 . . . . 1.83 110.542 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m -89.36 -8.89 52.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.866 -0.606 . . . . 1.5 110.964 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.95 158.99 27.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 1.71 111.207 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 t -171.5 135.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.672 -0.492 . . . . 3.09 109.672 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -147.5 116.78 6.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 5.55 111.117 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.21 83.33 31.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.07 -0.514 . . . . 3.58 110.637 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' B' ' 75' ' ' LYS . 6.3 Cg_exo -79.54 170.98 16.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.005 2.47 . . . . 3.95 110.953 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 59.46 47.29 11.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.703 0.763 . . . . 5.08 109.445 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.218 -0.901 . . . . 4.12 109.786 -176.586 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 14' ' ' MET . . . . . 0.773 ' N ' ' HG ' ' B' ' 18' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.341 0.115 . . . . 6.44 111.062 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.2 mtt 68.05 16.53 9.51 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.631 0.582 . . . . 4.73 111.774 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -143.61 26.33 1.59 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.599 -0.728 . . . . 2.01 110.28 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 49.07 51.47 16.15 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.904 -0.589 . . . . 1.09 109.642 -170.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.773 ' HG ' ' N ' ' B' ' 14' ' ' MET . 18.1 m -71.94 163.59 27.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.337 -0.847 . . . . 1.33 110.973 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -51.81 -46.44 64.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.182 0.515 . . . . 2.1 110.578 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.073 -0.967 . . . . 1.58 111.635 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.559 ' CD ' ' HA ' ' B' ' 14' ' ' MET . 43.2 mt-10 -68.93 -44.12 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.271 0.558 . . . . 1.54 110.449 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.4 mt -64.14 -49.67 80.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.303 -0.862 . . . . 0.44 110.551 -179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.54 77.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.2 111.089 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.17 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.31 110.703 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 97.3 mt -68.0 -34.09 75.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.915 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.74 -52.12 61.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.27 111.113 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.09 -27.21 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.23 110.424 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.87 -47.17 84.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.841 -0.618 . . . . 1.58 110.333 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.462 ' O ' HG13 ' B' ' 33' ' ' ILE . 40.0 t80 -58.61 -51.59 69.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 1.25 110.84 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.75 -41.45 91.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.365 . . . . 1.22 110.868 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -63.53 -35.27 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.396 . . . . 1.15 110.882 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 50.8 m -64.6 -38.19 90.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.869 0.366 . . . . 0.99 110.823 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.1 mt -67.92 -43.96 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.937 0.399 . . . . 0.44 111.036 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.12 -31.02 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.47 111.395 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.23 -37.84 88.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.776 0.322 . . . . 2.22 111.101 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 32' ' ' SER . 46.6 pttt -90.35 1.43 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.417 . . . . 2.08 111.169 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttm 55.58 48.66 18.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.335 -0.848 . . . . 2.6 110.776 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.21 -28.66 16.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.583 0.706 . . . . 2.11 109.81 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.4 tt -94.14 151.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.22 -0.9 . . . . 0.52 109.797 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -64.38 153.17 39.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.419 -0.355 . . . . 1.82 111.194 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -51.75 -47.24 64.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.151 0.426 . . . . 2.19 112.151 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.05 -45.53 86.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.585 -0.279 . . . . 2.29 110.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.4 96.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.045 -0.598 . . . . 0.39 112.119 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.23 84.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.38 110.773 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.91 -36.33 82.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.712 -0.676 . . . . 1.84 110.621 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.3 t -62.81 -39.66 94.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.743 -0.662 . . . . 0.98 110.09 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.7 -26.17 66.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.41 111.328 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -67.19 -53.02 34.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.787 -0.188 . . . . 0.48 111.25 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.37 -34.86 72.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.027 0.441 . . . . 0.36 109.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.614 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.81 -42.05 97.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.37 110.507 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.424 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 11.3 ttm -67.66 -36.72 81.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.65 111.451 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.32 -33.78 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.368 0.604 . . . . 1.99 109.877 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.7 m -72.04 -46.07 58.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.554 -0.748 . . . . 1.05 110.484 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.1 mt -55.92 -53.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.063 0.459 . . . . 0.33 110.463 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 14.2 p -60.04 -46.6 89.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.8 111.582 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.86 -32.98 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 2.66 111.163 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.41 111.453 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 51.5 m-85 -94.82 -20.53 19.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.24 111.1 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 44.06 2.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.42 113.618 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' B' ' 55' ' ' SER . 50.9 p90 -150.26 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.938 -0.393 . . . . 1.23 109.938 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.77 169.79 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.397 -0.223 . . . . 2.33 110.397 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.686 ' O ' HG12 ' B' ' 65' ' ' VAL . 68.4 ttt180 -60.89 -45.13 95.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.724 0.268 . . . . 3.67 111.724 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.3 -9.36 47.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.163 -0.336 . . . . 3.19 111.76 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -82.71 -14.11 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.701 -0.227 . . . . 0.66 111.401 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 62' ' ' ARG . 8.9 p -60.44 -35.35 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.847 0.356 . . . . 0.53 110.89 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.7 m -62.17 -35.27 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 1.63 110.637 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.41 -40.95 26.76 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.992 -0.549 . . . . 0.74 112.028 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 64' ' ' ALA . 58.3 mt -61.25 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.7 110.288 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 1.13 111.471 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.18 -25.65 10.14 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.771 -0.728 . . . . 1.24 111.68 175.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -102.46 -24.75 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.988 0.423 . . . . 3.15 110.989 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 57.6 p -74.96 173.79 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.022 -0.536 . . . . 2.02 111.239 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -90.91 13.07 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 2.64 110.77 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' B' ' 25' ' ' LEU . 80.0 m-85 -115.72 48.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 1.7 109.813 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . 29.4 mtpp -77.27 -23.45 51.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 2.85 110.422 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' B' ' 77' ' ' GLN . . . -114.48 133.08 10.86 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.013 -0.613 . . . . 2.43 111.724 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' B' ' 76' ' ' GLY . 51.5 mt-30 72.63 134.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.543 0.687 . . . . 3.28 111.204 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -84.45 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.596 -0.729 . . . . 1.95 109.315 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 37.9 tp -55.13 -54.23 45.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.6 111.379 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.97 71.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.314 -0.403 . . . . 0.63 111.379 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -65.29 -43.68 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.428 0.632 . . . . 2.3 109.5 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.03 -50.24 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.882 -1.054 . . . . 0.61 110.874 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.83 111.008 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -69.87 -17.36 63.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.138 0.494 . . . . 1.83 110.521 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.6 m -90.89 -7.09 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.779 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.14 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 1.7 111.136 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.9 t -171.48 135.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.608 -0.516 . . . . 3.09 109.608 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -147.58 116.67 6.87 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.779 0.324 . . . . 5.55 111.125 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.23 83.34 32.12 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.055 -0.521 . . . . 3.58 110.57 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 75' ' ' LYS . 6.3 Cg_exo -79.7 171.31 15.8 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.931 2.421 . . . . 3.95 110.822 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 59.2 47.58 11.5 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.79 0.805 . . . . 5.08 109.427 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.144 -0.934 . . . . 4.13 109.85 -176.662 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.161 -0.311 . . . . 6.45 110.161 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.409 ' SD ' ' HB3' ' A' ' 72' ' ' SER . 84.0 mtp -99.73 153.25 19.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.699 -0.482 . . . . 4.73 109.699 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.586 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 19.0 m -84.95 25.51 0.94 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.169 0.433 . . . . 2.01 112.169 -172.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.33 90.42 0.05 Allowed 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.562 0.539 . . . . 1.09 111.242 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.64 157.7 36.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.24 -0.436 . . . . 1.32 110.125 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.88 -51.39 57.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 2.1 111.244 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.77 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 1.57 111.526 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 90.6 mt-10 -76.28 -37.55 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.15 -0.477 . . . . 1.54 110.939 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 76.4 mt -66.16 -49.59 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 0.44 109.765 175.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.06 72.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.2 110.682 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.55 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.31 110.669 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 74' ' ' PHE . 75.5 mt -66.86 -37.37 84.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.307 -0.406 . . . . 0.46 111.038 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.6 mt -62.01 -51.02 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.077 -0.51 . . . . 0.27 111.162 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.563 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 28.6 m -68.91 -32.94 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.93 -0.308 . . . . 0.24 110.667 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -66.99 -32.58 73.91 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.073 0.463 . . . . 1.59 110.233 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' O ' HG13 ' A' ' 33' ' ' ILE . 54.3 t80 -68.68 -51.83 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.826 -0.624 . . . . 1.25 110.697 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 18.4 m-85 -61.17 -44.75 96.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.22 111.259 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 p -67.49 -22.24 65.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.404 -0.362 . . . . 1.15 111.121 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -71.84 -41.53 68.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 0.99 110.238 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 29' ' ' TYR . 16.6 mt -66.45 -39.29 83.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.181 -0.463 . . . . 0.43 110.836 -177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 31' ' ' SER . 20.6 m -76.48 -27.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.47 110.635 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.55 74.11 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.127 0.489 . . . . 2.22 110.119 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -1.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.841 -0.618 . . . . 2.08 110.855 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' CE ' ' HG2' ' A' ' 41' ' ' GLU . 19.7 tptm 55.93 45.63 23.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.858 -1.064 . . . . 2.6 111.43 175.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.75 -18.01 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.323 0.582 . . . . 2.12 110.235 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 18.6 tt -94.12 150.78 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.823 -0.626 . . . . 0.51 110.149 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -59.01 138.53 57.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 1.82 110.558 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 37' ' ' LYS . 39.3 mt-10 -62.32 -29.63 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.267 -0.879 . . . . 2.19 112.326 -170.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.56 -46.96 71.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.037 0.446 . . . . 2.3 109.989 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.47 85.66 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.39 111.898 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.47 89.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.947 0.404 . . . . 0.38 110.45 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.48 -41.21 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.497 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.98 110.384 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.75 -27.19 62.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 0.41 110.98 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.8 m120 -68.19 -50.35 54.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.727 -0.215 . . . . 0.48 110.801 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -35.48 75.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.019 0.438 . . . . 0.36 110.207 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.37 110.642 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.4 tpp -57.39 -48.66 78.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.776 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -43.99 94.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.602 -0.726 . . . . 1.99 110.214 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.49 -46.91 86.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.608 -0.723 . . . . 1.05 111.689 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.0 mt -60.37 -51.01 77.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.014 0.435 . . . . 0.34 110.325 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 18.7 m -59.81 -46.45 89.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 0.8 110.726 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 2.66 111.268 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.3 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.754 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -91.4 -12.09 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.841 0.353 . . . . 1.24 111.486 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.56 39.73 9.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 0.43 113.257 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.3 p90 -138.37 164.89 28.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.038 0.419 . . . . 1.22 109.904 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -98.02 143.72 28.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.982 0.42 . . . . 2.33 110.441 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 ptt180 -60.12 -19.83 55.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.417 -0.811 . . . . 3.67 111.293 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -84.79 -15.53 44.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.354 -0.384 . . . . 3.2 110.685 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 -0.27 53.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.67 111.483 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 62' ' ' ARG . 3.8 p -58.47 -38.85 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.834 0.349 . . . . 0.54 111.17 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -63.3 -37.13 86.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 1.63 110.128 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.32 -39.7 70.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.76 112.183 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.56 -48.2 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.069 0.462 . . . . 0.71 110.622 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.25 -36.72 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 1.14 110.826 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.27 -26.27 72.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.78 -0.724 . . . . 1.25 112.061 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -68.99 -57.35 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 3.16 111.148 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HB3' ' SD ' ' A' ' 15' ' ' MET . 39.3 m -98.64 -115.06 0.15 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.152 -0.476 . . . . 2.02 111.149 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -126.04 -147.73 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.0 -0.371 . . . . 2.64 110.0 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 25' ' ' LEU . 70.3 m-85 67.9 32.44 5.18 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.673 0.749 . . . . 1.7 109.78 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 72' ' ' SER . 92.3 mttt -92.46 154.48 18.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.928 -1.033 . . . . 2.85 110.265 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.27 -66.39 2.92 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.132 -0.556 . . . . 2.42 112.445 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -82.31 136.83 34.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.981 -0.377 . . . . 3.28 109.981 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -91.22 -179.72 5.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.569 -0.53 . . . . 1.96 109.569 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' LEU . 40.7 tp -56.09 -53.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.809 0.338 . . . . 0.6 110.83 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.43 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.365 . . . . 0.63 111.478 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.41 -45.57 87.02 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.333 0.587 . . . . 2.3 109.682 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' B' ' 86' ' ' ALA . 46.7 mt -58.44 -50.34 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 0.61 111.159 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -60.07 -38.61 83.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.83 111.089 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 8.7 t30 -69.52 -37.51 77.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.83 110.784 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -69.53 -28.42 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.085 0.469 . . . . 1.5 110.501 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . -98.52 22.92 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.238 -0.437 . . . . 1.71 111.068 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.2 t -55.49 142.87 31.31 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.78 -0.646 . . . . 3.09 111.134 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -126.33 146.39 50.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.976 -0.556 . . . . 5.55 110.464 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p -85.37 118.2 70.28 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.936 -0.394 . . . . 3.58 109.936 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.71 97.92 0.23 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.799 2.332 . . . . 3.95 112.219 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.36 88.73 7.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.042 -0.526 . . . . 5.08 109.973 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.494 -0.765 . . . . 4.12 110.487 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.784 0.326 . . . . 6.44 110.174 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.4 ' SD ' ' HB3' ' B' ' 72' ' ' SER . 83.5 mtp -99.83 153.0 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.741 -0.466 . . . . 4.73 109.741 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.587 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 17.7 m -84.68 25.47 0.91 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.213 -0.449 . . . . 2.01 112.142 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.24 90.45 0.05 Allowed 'General case' 0 C--O 1.232 0.184 0 O-C-N 123.634 0.584 . . . . 1.09 111.287 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.71 157.63 36.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.157 -0.474 . . . . 1.33 110.226 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.73 -51.51 55.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.408 . . . . 2.1 111.19 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.72 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.644 -0.707 . . . . 1.58 111.512 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 90.3 mt-10 -76.31 -37.44 57.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.134 -0.485 . . . . 1.54 110.945 -175.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' B' ' 26' ' ' ILE . 76.4 mt -66.2 -49.54 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.101 -0.5 . . . . 0.44 109.859 175.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.07 72.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.715 -0.675 . . . . 0.2 110.719 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.43 75.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.643 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' B' ' 74' ' ' PHE . 75.1 mt -66.94 -37.37 84.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.374 -0.375 . . . . 0.46 110.979 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -62.03 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.27 111.173 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.555 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 28.6 m -68.99 -32.8 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.86 -0.336 . . . . 0.23 110.763 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -67.05 -32.46 73.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 1.58 110.37 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' TYR . . . . . 0.422 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.0 t80 -68.77 -51.83 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 1.25 110.693 177.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.76 96.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.235 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -67.61 -22.14 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 1.15 111.121 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -71.98 -41.56 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.99 110.085 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 29' ' ' TYR . 16.6 mt -66.43 -39.33 83.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.157 -0.474 . . . . 0.44 110.822 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.45 -27.08 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.47 110.63 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.81 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.133 0.492 . . . . 2.22 110.021 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 -1.81 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 2.08 110.945 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.433 ' CE ' ' HG2' ' B' ' 41' ' ' GLU . 19.8 tptm 55.96 45.29 24.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.78 -1.1 . . . . 2.6 111.47 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.29 -18.39 18.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.189 0.519 . . . . 2.11 110.246 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 18.6 tt -93.71 150.75 3.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.855 -0.612 . . . . 0.52 110.152 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -58.91 138.54 57.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 1.82 110.607 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' CE ' ' B' ' 37' ' ' LYS . 40.0 mt-10 -62.7 -29.4 70.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.215 -0.902 . . . . 2.19 112.284 -169.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 -47.02 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.022 0.439 . . . . 2.29 110.077 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.6 86.2 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.604 -0.726 . . . . 0.39 111.884 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.38 110.364 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.64 -41.04 93.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.529 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -62.21 -34.54 76.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.98 110.449 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.74 -27.31 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.41 110.97 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.25 -50.06 56.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.625 -0.261 . . . . 0.48 110.94 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.69 -35.62 75.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.36 110.101 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.522 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -66.67 -34.45 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.37 110.622 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' MET . . . . . 0.555 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -57.42 -48.59 78.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.65 110.818 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.84 -44.07 94.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.588 -0.733 . . . . 1.99 110.21 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.56 -46.93 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.532 -0.758 . . . . 1.05 111.706 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.4 mt -60.41 -50.93 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.032 0.444 . . . . 0.33 110.262 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.7 m -59.87 -46.46 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.575 -0.739 . . . . 0.8 110.72 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.38 -42.41 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 2.66 111.271 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.19 90.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.41 111.776 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -91.5 -12.34 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.913 0.387 . . . . 1.24 111.46 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.59 9.5 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.42 113.279 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.5 p90 -138.18 165.1 27.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.911 -0.403 . . . . 1.23 109.911 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -98.18 143.68 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.038 0.447 . . . . 2.33 110.428 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 20.7 ptt180 -60.09 -19.8 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.389 -0.823 . . . . 3.67 111.323 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -84.81 -15.48 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 3.19 110.797 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.36 -0.33 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.66 111.533 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 3.8 p -58.39 -38.9 72.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.53 111.136 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -63.52 -36.76 84.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.63 110.187 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.53 -39.64 68.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.032 -0.604 . . . . 0.74 112.169 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.53 -48.22 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.971 0.415 . . . . 0.7 110.686 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -36.75 82.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.617 . . . . 1.13 110.859 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.16 -26.42 72.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 1.24 112.222 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.89 -57.43 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.829 0.347 . . . . 3.15 111.096 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.406 ' O ' ' HE3' ' B' ' 75' ' ' LYS . 39.8 m -98.6 -115.18 0.15 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 2.02 111.126 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -126.02 -147.66 0.37 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.023 -0.362 . . . . 2.64 110.023 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.403 ' CD1' HD11 ' B' ' 25' ' ' LEU . 70.2 m-85 68.05 32.25 5.09 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.604 0.716 . . . . 1.7 109.676 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' B' ' 72' ' ' SER . 92.0 mttt -92.36 154.38 18.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.978 -1.01 . . . . 2.85 110.396 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.39 -66.13 2.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.215 -0.516 . . . . 2.43 112.507 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -82.61 136.58 34.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.971 -0.381 . . . . 3.28 109.971 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -90.98 -179.41 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.574 -0.528 . . . . 1.95 109.574 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' B' ' 83' ' ' LEU . 40.7 tp -56.35 -53.28 59.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.6 110.862 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.4 72.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.42 -0.354 . . . . 0.63 111.484 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.24 -45.69 87.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.445 0.641 . . . . 2.3 109.668 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 86' ' ' ALA . 45.8 mt -58.47 -50.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.796 -1.093 . . . . 0.61 111.124 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.7 mp -60.13 -38.48 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.015 -0.538 . . . . 0.83 111.068 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 8.8 t30 -69.64 -37.58 76.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.272 -0.422 . . . . 1.83 110.839 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.7 t -69.47 -28.33 65.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 1.5 110.515 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . -98.78 23.26 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 1.7 110.983 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.8 t -55.7 142.75 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 3.09 111.107 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -126.16 146.49 49.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.175 -0.466 . . . . 5.55 110.531 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p -85.52 118.33 70.46 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.319 -0.4 . . . . 3.58 109.972 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.75 97.76 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.83 2.354 . . . . 3.95 112.211 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.39 88.83 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 5.08 110.064 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.534 -0.746 . . . . 4.13 110.774 -179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.056 0.455 . . . . 1.09 111.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' ILE . 15.3 t -74.34 166.31 23.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 1.32 109.46 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -55.11 -53.73 52.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 2.1 111.049 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.44 -36.03 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.458 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.11 -41.07 82.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 1.54 110.603 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.7 mt -66.88 -52.07 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.796 -0.638 . . . . 0.44 110.195 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.81 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 0.2 110.742 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 65' ' ' VAL . . . -55.43 -54.19 46.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.31 111.068 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 74' ' ' PHE . 89.4 mt -63.84 -37.15 86.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.478 -0.328 . . . . 0.46 110.98 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 72.5 mt -63.3 -52.38 59.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.27 111.006 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.9 -30.08 42.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.974 -0.29 . . . . 0.24 110.938 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.54 -43.36 90.19 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 1.59 109.895 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CE2' HD11 ' A' ' 33' ' ' ILE . 43.4 t80 -61.85 -46.24 90.32 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.117 -0.492 . . . . 1.25 110.552 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.36 -38.3 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 1.22 110.376 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.5 m -63.68 -39.87 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 1.15 110.554 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 m -64.54 -37.42 87.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.99 111.054 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 29' ' ' TYR . 63.9 mt -60.68 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.242 -0.436 . . . . 0.43 111.113 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.9 -23.31 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.47 110.799 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.58 -46.51 88.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.374 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 32' ' ' SER . 20.8 ptmt -90.09 10.64 23.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 2.08 110.832 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? 39.91 51.21 2.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.459 1.104 . . . . 2.6 112.304 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -90.21 -29.35 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.387 0.613 . . . . 2.12 109.812 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.495 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.3 tt -85.89 160.9 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.093 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 t -76.64 158.77 30.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.248 -0.278 . . . . 1.82 110.248 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.63 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.721 0.296 . . . . 2.19 111.22 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 2.3 110.839 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.38 84.01 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.39 112.748 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.25 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.38 110.572 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -65.76 -38.15 88.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 1.84 110.683 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.7 m -58.35 -43.51 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.98 110.352 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.63 -27.8 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.41 111.315 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -68.56 -57.12 6.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.757 -0.201 . . . . 0.48 110.778 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.48 -34.81 71.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.36 110.488 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.615 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.5 -39.81 92.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.346 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttm -67.49 -38.11 83.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.65 110.862 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -59.92 -40.53 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.254 0.55 . . . . 1.99 109.741 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.27 -0.877 . . . . 1.05 111.055 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 50' ' ' ALA . 75.6 mt -58.22 -47.22 87.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.499 . . . . 0.34 109.859 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 20.0 m -62.32 -43.15 99.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.481 -0.781 . . . . 0.8 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.71 -39.16 90.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 2.66 111.014 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.14 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.42 111.825 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.05 -13.53 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.032 0.382 . . . . 1.24 112.032 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.79 52.31 5.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.992 -0.623 . . . . 0.43 112.89 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.7 p90 -150.38 166.7 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.585 -0.524 . . . . 1.22 109.585 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -100.2 157.62 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.54 -0.3 . . . . 2.33 110.341 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 65' ' ' VAL . 72.7 ttt180 -57.84 -57.11 14.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.266 -0.174 . . . . 3.67 111.366 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.72 -15.65 42.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.888 0.375 . . . . 3.2 111.403 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.79 -18.08 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.631 -0.259 . . . . 0.67 111.122 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -58.86 -33.79 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.86 0.362 . . . . 0.54 110.568 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -64.85 -29.99 70.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.232 0.539 . . . . 1.63 110.723 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.2 -42.86 7.31 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.76 111.79 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.77 -47.58 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.71 110.715 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.1 mt -77.32 3.7 12.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.14 110.988 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.97 -29.66 7.53 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.881 -0.888 . . . . 1.25 110.881 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -85.35 -43.6 13.54 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.923 0.392 . . . . 3.16 110.26 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -79.43 150.59 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 2.02 109.665 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -95.46 51.85 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.912 0.863 . . . . 2.64 112.006 -175.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 25' ' ' LEU . 73.5 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 114.753 -1.112 . . . . 1.7 108.284 167.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m80 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 108.442 -0.947 . . . . 1.96 108.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 83' ' ' LEU . 56.5 tp -55.78 -49.42 73.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.759 0.314 . . . . 0.6 111.14 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.54 72.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.964 0.357 . . . . 0.63 111.964 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 2.3 109.911 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.85 -43.5 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.159 -0.928 . . . . 0.61 110.718 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.3 mp -68.28 -30.82 69.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.768 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -63.78 -34.93 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 1.83 111.015 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -7.57 55.73 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.968 0.359 . . . . 1.5 111.968 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.72 0.295 . . . . 1.71 110.554 178.004 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.126 0.489 . . . . 1.09 111.36 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.415 ' O ' HG13 ' B' ' 22' ' ' ILE . 16.2 t -74.35 166.16 23.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 1.33 109.48 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -54.94 -53.81 50.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 2.1 111.053 -173.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.42 -35.98 77.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.447 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.11 -41.15 82.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.0 0.429 . . . . 1.54 110.596 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 26' ' ' ILE . 71.1 mt -66.88 -51.95 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.635 . . . . 0.44 110.252 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.83 67.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.724 -0.671 . . . . 0.2 110.705 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' B' ' 65' ' ' VAL . . . -55.33 -54.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 0.31 111.076 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 74' ' ' PHE . 89.4 mt -63.83 -37.23 86.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.486 -0.324 . . . . 0.46 111.081 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.4 mt -63.18 -52.39 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 0.27 111.007 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.96 -29.99 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 121.01 -0.276 . . . . 0.23 110.945 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.54 -43.64 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.705 -0.48 . . . . 1.58 109.705 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' B' ' 33' ' ' ILE . 43.3 t80 -61.69 -46.3 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 1.25 110.534 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.24 -38.47 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.8 0.334 . . . . 1.22 110.357 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.2 m -63.43 -40.24 96.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 1.15 110.414 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 24.7 m -64.37 -37.41 87.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.538 -0.301 . . . . 0.99 110.981 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' B' ' 29' ' ' TYR . 63.9 mt -60.75 -48.82 87.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.3 -0.409 . . . . 0.44 111.102 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.71 -23.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.47 110.854 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.4 -46.46 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.474 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 32' ' ' SER . 20.7 ptmt -90.0 10.56 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 2.08 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 39.98 51.23 2.54 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.678 -1.146 . . . . 2.6 112.297 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -90.29 -29.15 18.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.381 0.61 . . . . 2.11 109.806 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.488 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.3 tt -86.23 160.95 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.156 -0.929 . . . . 0.52 110.095 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.9 t -76.65 158.73 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.105 -0.331 . . . . 1.82 110.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.71 -44.97 70.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.688 0.28 . . . . 2.19 111.128 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.67 -52.23 64.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 2.29 110.8 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.4 84.06 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.39 112.681 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.11 97.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.766 0.317 . . . . 0.38 110.618 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -65.88 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 1.84 110.627 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 11.9 m -58.5 -43.47 89.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.98 110.243 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.7 -27.77 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.41 111.372 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -68.44 -57.29 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.646 -0.252 . . . . 0.48 110.74 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.46 -34.78 71.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.89 0.376 . . . . 0.36 110.51 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.625 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.56 -39.71 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.37 110.244 176.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.1 ttm -67.63 -38.2 83.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.65 110.776 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.03 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 1.99 109.755 174.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.9 m -69.95 -42.76 72.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.266 -0.879 . . . . 1.05 111.071 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.625 HG13 ' O ' ' B' ' 50' ' ' ALA . 76.0 mt -58.2 -47.23 87.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.243 0.544 . . . . 0.33 109.933 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -62.31 -43.03 99.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.811 . . . . 0.8 110.989 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.9 -39.08 90.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 2.66 110.934 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.32 -51.17 55.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.41 111.814 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -84.08 -13.56 52.73 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 1.24 112.022 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 52.09 5.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.912 -0.661 . . . . 0.42 112.891 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.7 p90 -150.29 166.6 29.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.691 -0.485 . . . . 1.23 109.691 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -100.18 157.81 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.244 -0.28 . . . . 2.33 110.244 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.726 ' O ' HG12 ' B' ' 65' ' ' VAL . 72.6 ttt180 -57.87 -57.18 13.89 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 121.327 -0.149 . . . . 3.67 111.351 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.63 -15.49 40.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.929 0.395 . . . . 3.19 111.503 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.0 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.575 -0.284 . . . . 0.66 111.157 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.726 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -58.87 -33.99 51.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 0.53 110.58 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -64.59 -30.32 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.006 -0.543 . . . . 1.63 110.695 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.0 -42.74 7.46 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.115 -0.564 . . . . 0.74 111.846 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.81 -47.39 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.7 110.633 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -77.24 3.37 13.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 1.13 110.958 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -29.66 7.56 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.803 -0.919 . . . . 1.24 110.803 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -85.32 -43.65 13.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 3.15 110.282 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -79.52 150.66 31.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.93 -0.577 . . . . 2.02 109.608 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.434 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -95.63 51.95 1.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.886 0.85 . . . . 2.64 111.972 -175.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 25' ' ' LEU . 73.3 m-85 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 114.678 -1.146 . . . . 1.7 108.266 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.423 -0.954 . . . . 1.95 108.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 83' ' ' LEU . 56.6 tp -55.75 -49.48 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.6 111.084 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.934 0.346 . . . . 0.63 111.934 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.41 -35.77 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.361 0.601 . . . . 2.3 109.869 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.59 -43.56 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.274 -0.876 . . . . 0.61 110.616 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.4 mp -68.27 -30.88 70.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.83 110.759 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.68 -34.96 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 1.83 110.99 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 p -77.96 -4.86 49.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.912 0.338 . . . . 1.5 111.912 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 1.7 110.37 177.398 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.064 0.459 . . . . 1.09 111.802 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 22' ' ' ILE . 34.2 p -80.21 173.77 12.27 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.735 -0.666 . . . . 1.32 110.488 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.05 -48.64 70.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.396 -0.366 . . . . 2.1 111.629 -175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.39 -34.63 76.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.582 -0.281 . . . . 1.57 111.333 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 51.5 mt-10 -67.51 -44.27 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 1.54 110.768 -178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 mt -65.06 -50.26 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 0.44 110.497 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.76 73.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.2 110.867 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.6 89.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.31 111.174 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.96 -33.46 61.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.46 110.852 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 22' ' ' ILE . 76.9 mt -63.86 -50.91 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.27 110.997 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 33.0 m -67.46 -30.18 48.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.844 0.354 . . . . 0.24 110.359 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.33 -42.44 96.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 1.59 109.554 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.1 t80 -62.65 -51.85 65.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.006 -0.543 . . . . 1.25 110.877 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.87 -41.66 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.59 -0.277 . . . . 1.22 111.652 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 p -67.94 -31.85 71.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 1.15 110.694 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -66.37 -41.4 89.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.99 110.025 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.8 mt -56.68 -50.89 72.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.95 -0.568 . . . . 0.43 111.058 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.5 m -73.11 -27.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.469 -0.332 . . . . 0.47 111.277 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.83 -44.39 93.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.136 0.494 . . . . 2.22 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -94.83 4.75 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 2.08 110.881 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt 52.87 55.93 8.3 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 114.991 -1.004 . . . . 2.6 110.886 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -88.66 -8.65 54.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.254 1.025 . . . . 2.12 108.363 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.1 tt -122.99 153.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.739 -1.119 . . . . 0.51 110.555 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 m -67.82 141.98 56.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 1.82 109.881 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.46 -25.04 59.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.398 -0.819 . . . . 2.19 112.429 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.77 -38.61 73.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.006 0.431 . . . . 2.3 110.199 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.97 -27.74 57.82 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.444 -0.662 . . . . 0.39 111.444 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.44 98.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.981 0.419 . . . . 0.38 110.438 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.99 -40.37 93.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.525 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.499 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.86 -23.98 62.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.504 -0.316 . . . . 0.41 111.09 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.18 -52.72 31.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.597 0.237 . . . . 0.48 110.733 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.32 -36.03 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.964 0.411 . . . . 0.36 110.242 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.98 -35.17 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.37 110.637 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 21.6 tpp -54.42 -50.0 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.65 111.037 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.953 -0.567 . . . . 1.99 110.462 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.4 m -63.47 -45.93 88.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.179 -0.464 . . . . 1.05 111.05 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.4 mt -60.72 -50.12 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.164 0.507 . . . . 0.34 110.06 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 20.3 m -60.74 -48.14 83.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.489 -0.778 . . . . 0.8 110.933 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.39 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 2.66 111.143 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.9 -34.35 75.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.659 . . . . 0.42 111.715 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 65.9 m-85 -100.79 -2.24 32.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.812 0.339 . . . . 1.24 111.616 -177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.71 41.76 8.71 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.837 -0.696 . . . . 0.43 113.454 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 55' ' ' SER . 45.1 p90 -145.34 161.52 39.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.901 0.35 . . . . 1.22 110.108 174.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -101.2 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.019 -0.363 . . . . 2.33 110.019 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.666 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.4 mtt180 -53.11 -47.27 68.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.649 0.261 . . . . 3.67 111.572 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.07 -13.41 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.729 0.27 . . . . 3.2 111.729 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.61 -17.41 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.708 -0.224 . . . . 0.67 111.581 -176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 62' ' ' ARG . 12.7 p -62.71 -29.41 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.042 0.448 . . . . 0.54 110.297 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 m -62.15 -39.29 92.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.799 -0.637 . . . . 1.63 110.288 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.91 -39.86 53.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.85 -0.69 . . . . 0.76 111.91 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -59.19 -53.85 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.237 -0.282 . . . . 0.71 110.237 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.8 -3.11 17.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 1.14 111.443 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.57 -34.01 29.56 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.687 -0.768 . . . . 1.25 111.229 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.32 -39.42 10.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 3.16 110.219 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' A' ' 21' ' ' GLU . 31.0 m -61.3 141.89 57.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 2.02 110.022 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 0.55 52.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.071 -0.513 . . . . 2.64 111.36 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 1.7 110.211 178.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 108.975 -0.75 . . . . 1.96 108.975 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 58.8 tp -52.61 -49.81 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.55 0.574 . . . . 0.6 112.55 -171.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' B' ' 22' ' ' ILE . . . -69.69 -27.24 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.122 0.415 . . . . 0.63 112.122 -174.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.13 -36.37 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.236 -0.653 . . . . 2.3 109.236 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 77.1 mt -61.11 -49.58 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.61 110.203 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.9 mp -64.72 -32.33 73.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.83 110.821 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.26 -21.64 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 1.83 110.601 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 m -82.05 -10.41 59.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 1.5 110.745 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 1.71 110.388 178.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.144 0.497 . . . . 1.09 111.725 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.421 ' O ' HG13 ' B' ' 22' ' ' ILE . 32.4 p -80.33 173.97 12.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.567 -0.742 . . . . 1.33 110.414 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.31 -48.66 71.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.347 -0.388 . . . . 2.1 111.494 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -34.5 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.627 -0.261 . . . . 1.58 111.399 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' B' ' 72' ' ' SER . 51.5 mt-10 -67.56 -44.11 79.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.968 0.413 . . . . 1.54 110.874 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.462 ' O ' HG13 ' B' ' 26' ' ' ILE . 61.0 mt -65.17 -50.38 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.44 110.437 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.2 110.897 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.66 90.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 0.31 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -33.59 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.38 -0.373 . . . . 0.46 110.918 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.79 -50.88 75.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.27 111.026 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 33.0 m -67.47 -30.3 48.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.23 110.281 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.22 -42.36 96.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 1.58 109.664 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.507 ' O ' HG13 ' B' ' 33' ' ' ILE . 37.2 t80 -62.68 -51.84 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 1.25 110.914 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.458 -0.337 . . . . 1.22 111.648 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.3 p -67.81 -31.98 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 1.15 110.733 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.5 t -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 0.99 109.984 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 61.9 mt -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.97 -0.559 . . . . 0.44 111.08 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.21 -27.36 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.32 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.02 -44.14 93.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 2.22 110.82 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -94.82 4.45 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.158 0.504 . . . . 2.08 110.927 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 53.02 55.89 8.3 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.96 -1.018 . . . . 2.6 110.868 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.56 -8.6 54.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.257 1.027 . . . . 2.11 108.338 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.1 tt -122.94 153.15 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.711 -1.131 . . . . 0.52 110.528 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 42.8 m -67.59 142.0 56.61 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.139 -0.482 . . . . 1.82 109.88 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.73 -24.94 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.364 -0.835 . . . . 2.19 112.518 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.82 -38.9 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 2.29 110.034 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.61 -27.62 58.78 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.47 -0.652 . . . . 0.39 111.47 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.4 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.38 110.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.02 -40.51 93.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.577 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -61.7 -38.52 88.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 0.98 110.472 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.93 -23.84 62.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.41 111.245 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.06 -53.01 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.673 0.273 . . . . 0.48 110.67 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.36 110.226 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.518 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.06 -35.02 79.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.37 110.649 177.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.427 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 21.9 tpp -54.55 -50.17 68.56 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -67.75 -36.24 80.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.589 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.1 m -63.64 -45.89 88.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 1.05 111.072 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 50' ' ' ALA . 64.8 mt -60.76 -50.18 81.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.33 110.034 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 20.4 m -60.65 -48.08 83.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.378 -0.828 . . . . 0.8 110.907 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.5 -37.48 81.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 2.66 111.119 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.9 -34.4 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.71 -0.677 . . . . 0.41 111.769 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 66.2 m-85 -100.62 -2.29 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 1.24 111.56 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.73 42.14 8.47 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.475 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 45.1 p90 -145.76 161.6 39.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.923 0.362 . . . . 1.23 110.076 174.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.25 169.16 9.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.048 -0.353 . . . . 2.33 110.048 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.658 ' O ' HG12 ' B' ' 65' ' ' VAL . 88.3 mtt180 -53.21 -47.05 69.24 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.681 0.277 . . . . 3.67 111.577 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.26 -13.31 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.756 0.312 . . . . 3.19 111.721 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.78 -17.29 51.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.607 -0.27 . . . . 0.66 111.628 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 62' ' ' ARG . 12.7 p -62.77 -29.38 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.002 0.43 . . . . 0.53 110.319 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.6 m -62.29 -39.01 91.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.869 -0.605 . . . . 1.63 110.375 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.1 -39.9 52.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.936 -0.65 . . . . 0.74 111.744 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.29 -53.61 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.28 -0.267 . . . . 0.7 110.28 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.85 -3.24 18.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 1.13 111.526 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.32 -34.26 29.71 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.16 -0.776 . . . . 1.24 111.16 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.06 -39.51 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.221 -0.289 . . . . 3.15 110.221 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' B' ' 21' ' ' GLU . 31.0 m -61.35 142.12 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.466 . . . . 2.02 110.036 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.81 0.65 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 2.64 111.28 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.519 0.676 . . . . 1.7 110.242 178.738 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.922 -0.77 . . . . 1.95 108.922 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 58.9 tp -52.64 -49.85 64.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.495 0.554 . . . . 0.6 112.495 -171.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -27.34 65.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.07 0.396 . . . . 0.63 112.07 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.436 0.636 . . . . 2.3 109.306 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 77.0 mt -61.04 -49.67 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 0.61 110.23 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.9 mp -64.64 -32.39 74.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.83 110.877 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.14 -21.68 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 1.83 110.62 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.9 m -82.29 -10.04 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.851 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.39 178.768 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 0 N-CA-C 109.311 -0.626 . . . . 1.09 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -72.54 157.43 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.59 -0.732 . . . . 1.32 110.365 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.2 -48.77 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 2.1 111.568 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.04 -38.13 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 1.57 111.457 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.37 -39.16 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.249 0.547 . . . . 1.54 110.376 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.5 mt -65.22 -51.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.481 -0.781 . . . . 0.44 110.389 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -33.74 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.2 111.113 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.14 86.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 0.31 111.114 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HB3' HD13 ' A' ' 79' ' ' LEU . 36.6 mt -73.5 -34.46 65.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.668 0.271 . . . . 0.46 111.128 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -61.56 -50.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.655 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.28 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.24 110.41 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.3 -49.52 77.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.039 -0.528 . . . . 1.59 110.649 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.7 t80 -62.37 -46.59 87.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 1.25 110.888 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.81 -42.75 99.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.618 0.247 . . . . 1.22 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -64.47 -34.47 78.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.064 0.459 . . . . 1.15 109.958 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -65.48 -40.15 92.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.758 -0.655 . . . . 0.99 110.691 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 29' ' ' TYR . 53.1 mt -59.35 -49.17 84.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.862 0.363 . . . . 0.43 110.86 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.93 -26.49 19.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.47 110.9 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.31 -46.84 78.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 2.22 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 14.5 ptmm? -87.97 5.56 40.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.217 0.532 . . . . 2.08 110.811 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.17 52.95 10.79 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.938 -1.028 . . . . 2.6 110.804 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 42.5 tt0 -98.57 -13.44 20.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 2.12 110.349 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.2 tt -112.52 151.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.51 110.608 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 m -68.79 153.57 43.55 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.009 -0.542 . . . . 1.82 110.485 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.98 -50.5 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.232 0.456 . . . . 2.19 112.232 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.18 -36.73 78.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.378 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -35.97 72.23 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.815 -0.707 . . . . 0.39 111.783 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.75 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.38 110.734 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -64.11 -31.85 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.617 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -67.15 -40.62 86.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.63 . . . . 0.98 109.841 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.33 -30.19 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.41 111.045 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.18 -58.66 7.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.48 110.995 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.31 -37.34 77.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.04 0.447 . . . . 0.36 110.436 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -65.15 -36.99 85.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.37 111.249 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 54' ' ' ILE . 27.8 ttm -71.33 -38.42 71.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.352 -0.385 . . . . 0.65 111.902 -173.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.45 -29.1 68.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.393 -0.523 . . . . 1.99 109.62 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.7 -41.28 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.595 . . . . 1.05 110.296 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.9 mt -57.62 -49.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.37 0.605 . . . . 0.34 109.491 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.9 m -59.17 -45.14 91.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 0.8 110.713 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.4 -40.87 98.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.205 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.59 74.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.42 112.129 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -103.3 -8.18 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 1.24 111.684 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.97 38.38 19.52 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.037 -0.601 . . . . 0.43 113.462 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 10.8 p90 -136.82 177.11 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.808 -0.441 . . . . 1.22 109.808 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.53 154.46 33.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.836 0.35 . . . . 2.33 110.293 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -61.2 -17.82 55.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.847 -0.615 . . . . 3.67 112.123 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.15 -4.15 58.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.751 0.31 . . . . 3.2 110.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.91 0.27 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.323 . . . . 0.67 111.501 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.42 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.54 111.534 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -66.5 -36.13 81.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 1.63 110.836 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.4 -37.6 92.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.972 -0.633 . . . . 0.76 112.034 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.42 -48.51 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 0.71 110.596 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.66 -37.96 89.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 1.14 111.231 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.22 74.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.924 -0.655 . . . . 1.25 112.849 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.95 -33.39 19.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 3.16 110.836 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 p -82.61 175.35 10.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 2.02 111.127 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -84.95 26.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.117 0.484 . . . . 2.64 110.377 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.459 0.647 . . . . 1.7 109.58 179.464 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.158 -1.053 . . . . 1.96 108.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 25' ' ' LEU . 63.7 tp -43.43 -50.47 6.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.033 0.753 . . . . 0.6 113.033 -172.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.61 71.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.36 0.504 . . . . 0.63 112.36 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.77 -40.96 98.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.37 0.605 . . . . 2.3 109.523 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.6 mt -62.85 -41.57 93.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.798 -1.092 . . . . 0.61 110.844 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.801 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -68.96 -29.77 68.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.517 -0.31 . . . . 1.83 110.83 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -76.69 -7.87 56.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.853 0.316 . . . . 1.5 111.853 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.687 0.279 . . . . 1.71 110.303 176.516 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.334 -0.617 . . . . 1.09 109.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -72.5 157.29 37.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.548 -0.751 . . . . 1.33 110.519 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.07 -48.92 64.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.26 0.35 . . . . 2.1 111.556 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.99 -38.04 78.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 1.58 111.539 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.36 -39.2 81.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.267 0.556 . . . . 1.54 110.381 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.418 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.2 mt -65.32 -50.96 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.426 -0.806 . . . . 0.44 110.325 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.94 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.683 -0.689 . . . . 0.2 111.046 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.41 85.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.31 111.155 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' B' ' 79' ' ' LEU . 37.3 mt -73.1 -34.57 66.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.46 111.268 178.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -61.44 -50.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 0.27 110.611 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.29 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.23 110.389 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.32 -49.54 77.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.039 -0.528 . . . . 1.58 110.57 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.642 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.5 t80 -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 1.25 110.839 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.75 -42.72 99.34 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.152 -0.219 . . . . 1.22 110.916 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -64.51 -34.59 78.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.233 0.539 . . . . 1.15 109.938 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.6 t -65.29 -40.2 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.721 -0.672 . . . . 0.99 110.72 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.642 HG13 ' O ' ' B' ' 29' ' ' TYR . 53.0 mt -59.3 -49.13 84.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.863 0.363 . . . . 0.44 110.899 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.92 -26.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.249 -0.432 . . . . 0.47 110.924 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.15 -47.06 78.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 2.22 110.434 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' B' ' 38' ' ' GLU . 14.5 ptmm? -87.81 5.64 39.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.154 0.502 . . . . 2.08 110.833 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.13 53.02 10.74 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.954 -1.021 . . . . 2.6 110.814 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' B' ' 36' ' ' LYS . 42.7 tt0 -98.69 -13.47 20.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.665 . . . . 2.11 110.388 -175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -112.47 151.83 14.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.722 -0.672 . . . . 0.52 110.497 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -68.87 153.52 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.001 -0.545 . . . . 1.82 110.517 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -49.98 -50.58 46.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.182 0.438 . . . . 2.19 112.182 -173.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.1 -36.55 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 2.29 111.41 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.3 -36.12 70.16 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.761 -0.733 . . . . 0.39 111.768 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.55 79.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.38 110.704 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -64.37 -31.67 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.679 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -67.3 -40.62 86.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.64 . . . . 0.98 109.777 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.3 -30.12 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.03 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -60.25 -58.5 8.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.432 -0.349 . . . . 0.48 110.982 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.56 -37.29 77.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 121.006 0.432 . . . . 0.36 110.417 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.635 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.0 -37.01 86.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.988 -0.551 . . . . 0.37 111.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' B' ' 54' ' ' ILE . 27.8 ttm -71.4 -38.32 71.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.65 111.941 -173.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -67.23 -29.4 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.0 m -69.65 -41.37 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.05 110.194 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.635 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.5 mt -57.55 -49.07 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.479 0.656 . . . . 0.33 109.524 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 16.7 m -59.2 -45.15 91.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.064 -0.971 . . . . 0.8 110.663 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.32 -40.96 98.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 2.66 111.173 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.62 74.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 0.41 112.072 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.34 -8.17 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.766 0.317 . . . . 1.24 111.693 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 38.15 19.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.029 -0.605 . . . . 0.42 113.475 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 10.8 p90 -136.59 177.03 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.79 -0.448 . . . . 1.23 109.79 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.59 154.41 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.469 -0.332 . . . . 2.33 110.244 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -61.77 -16.93 53.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.895 -0.593 . . . . 3.67 112.103 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.68 -4.04 58.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.846 0.355 . . . . 3.19 110.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.97 0.46 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.66 111.427 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.47 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.53 111.477 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -66.48 -36.15 82.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.63 110.834 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.79 93.13 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.909 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.5 mt -71.23 -48.46 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.783 0.325 . . . . 0.7 110.572 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.69 -37.85 88.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.13 111.149 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.6 -29.52 75.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.96 -0.638 . . . . 1.24 112.755 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.56 -33.55 20.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.0 0.428 . . . . 3.15 110.898 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -82.63 175.05 10.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.079 -0.51 . . . . 2.02 111.183 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.7 26.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 2.64 110.372 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 121.344 0.592 . . . . 1.7 109.573 179.469 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 108.183 -1.043 . . . . 1.95 108.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' B' ' 25' ' ' LEU . 63.7 tp -43.6 -50.36 7.36 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.038 0.755 . . . . 0.6 113.038 -172.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.66 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.331 0.493 . . . . 0.63 112.331 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.67 -41.15 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.423 0.63 . . . . 2.3 109.53 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.72 -41.37 92.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.794 -1.094 . . . . 0.61 111.022 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.53 -31.58 67.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.795 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -68.84 -29.74 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.565 -0.289 . . . . 1.83 110.699 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -77.69 -5.8 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.755 0.28 . . . . 1.5 111.755 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 110.108 -0.33 . . . . 1.7 110.108 176.259 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.114 0.483 . . . . 1.09 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -80.16 163.24 24.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.007 -0.542 . . . . 1.32 109.851 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' B' ' 38' ' ' GLU . 64.8 mttp -52.64 -54.8 28.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.237 0.336 . . . . 2.1 111.805 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.94 -34.78 76.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 1.57 111.691 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.7 -43.43 76.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 1.54 110.47 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.3 mt -67.18 -46.77 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.409 -0.814 . . . . 0.44 110.441 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 0.2 110.827 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.23 85.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.31 110.928 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' ' 74' ' ' PHE . 97.9 mt -74.22 -35.9 63.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.713 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 22' ' ' ILE . 74.7 mt -63.87 -48.68 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.822 -0.627 . . . . 0.27 110.924 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.3 -32.73 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 121.014 -0.275 . . . . 0.24 110.639 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -62.08 -43.12 99.52 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.945 0.402 . . . . 1.59 110.098 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.6 t80 -58.55 -53.75 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.816 -0.629 . . . . 1.25 110.874 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.7 m-85 -61.24 -42.74 99.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.373 -0.376 . . . . 1.22 110.741 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -60.84 -39.71 90.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.1 -0.5 . . . . 1.15 110.469 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 10.2 t -73.85 -21.76 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.62 -0.264 . . . . 0.99 110.938 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 29' ' ' TYR . 60.4 mt -67.97 -52.56 37.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.926 0.394 . . . . 0.43 110.043 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.2 m -72.14 -25.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.47 110.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.63 -50.91 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 2.22 111.066 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.3 pttm -104.76 25.64 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 2.08 111.457 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.87 62.01 1.34 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.822 -1.081 . . . . 2.6 112.804 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' B' ' 19' ' ' LYS . 22.1 mm-40 -97.28 -2.78 41.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.603 -0.726 . . . . 2.12 110.05 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.408 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.3 tt -131.84 155.08 41.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.313 -0.858 . . . . 0.51 109.539 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -81.23 169.06 17.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.679 0.276 . . . . 1.82 110.89 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.5 mp0 -51.39 -57.29 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.516 0.726 . . . . 2.19 112.17 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.72 -35.02 78.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 2.3 111.251 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.5 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -64.68 -41.18 97.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.727 -0.749 . . . . 0.39 111.663 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.55 75.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.077 0.465 . . . . 0.38 110.324 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.25 -46.01 83.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.422 -0.808 . . . . 1.84 111.35 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 p -70.54 -35.29 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.928 -0.309 . . . . 0.98 110.538 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 71.9 mt -64.39 -25.54 68.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.645 0.259 . . . . 0.41 110.81 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.91 -50.91 60.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.604 -0.271 . . . . 0.48 111.172 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.02 -34.12 68.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.012 0.434 . . . . 0.36 110.106 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.5 -28.6 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.37 110.541 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 14.4 tpp -66.02 -48.42 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.19 0.519 . . . . 0.65 110.402 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.59 -35.35 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.595 -0.729 . . . . 1.99 109.805 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.04 -60.93 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.646 -0.706 . . . . 1.05 111.251 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 50' ' ' ALA . 62.2 mt -54.71 -44.96 72.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.976 0.417 . . . . 0.34 110.753 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -60.98 -53.32 58.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.8 110.926 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.26 -45.24 81.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 2.66 111.575 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.42 111.736 -176.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -84.1 -20.35 32.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.792 0.33 . . . . 1.24 111.37 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 37.55 6.32 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.851 -0.69 . . . . 0.43 113.219 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.21 158.56 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.865 -0.42 . . . . 1.22 109.865 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -91.29 142.96 27.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.05 0.452 . . . . 2.33 110.392 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -63.83 -20.3 65.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.606 -0.725 . . . . 3.67 110.876 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.41 -2.62 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 3.2 110.923 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.24 2.85 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.591 -0.277 . . . . 0.67 111.559 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.5 -39.07 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.309 -0.405 . . . . 0.54 111.783 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 t -66.51 -33.14 75.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.403 . . . . 1.63 110.432 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.92 -46.38 82.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.921 -0.657 . . . . 0.76 111.733 176.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.07 -47.32 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.71 110.429 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.9 mt -67.34 -21.13 65.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.14 111.586 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.19 -29.29 28.4 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.885 -0.674 . . . . 1.25 112.097 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 97.5 mttt -76.74 -47.22 22.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 3.16 110.289 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -75.74 154.0 36.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.982 -0.554 . . . . 2.02 110.619 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -76.03 20.34 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.553 -0.294 . . . . 2.64 111.791 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CG ' HD11 ' A' ' 25' ' ' LEU . 60.6 m-85 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.861 -0.422 . . . . 1.7 109.861 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.1 m80 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.898 0.38 . . . . 1.96 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 83' ' ' LEU . 51.9 tp -54.17 -35.93 62.84 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.36 -0.836 . . . . 0.6 111.245 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.64 78.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.63 111.287 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.02 -41.93 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.211 -0.663 . . . . 2.3 109.211 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.19 -45.75 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.863 -1.062 . . . . 0.61 111.219 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.0 mp -68.31 -30.11 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.83 111.399 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -71.48 -22.14 61.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 1.83 110.041 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.5 t -82.96 -10.93 58.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 1.5 110.566 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.41 0.624 . . . . 1.71 110.327 179.257 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.261 0.553 . . . . 1.09 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -80.21 163.05 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.877 -0.601 . . . . 1.33 109.9 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 38' ' ' GLU . 64.7 mttp -52.53 -54.73 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.179 0.299 . . . . 2.1 111.783 -175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.358 . . . . 1.58 111.738 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.9 -43.34 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.201 0.524 . . . . 1.54 110.458 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.2 mt -67.0 -46.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.463 -0.79 . . . . 0.44 110.425 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -35.74 72.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.764 -0.653 . . . . 0.2 110.912 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.24 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.31 110.889 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.406 HD11 ' CG ' ' B' ' 74' ' ' PHE . 97.7 mt -74.28 -35.79 63.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.892 0.377 . . . . 0.46 110.666 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.8 mt -64.08 -48.48 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.27 110.878 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.33 -32.81 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 0.23 110.624 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.04 -43.08 99.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.009 0.433 . . . . 1.58 110.085 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.1 t80 -58.72 -53.71 55.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.75 -0.659 . . . . 1.25 110.766 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.496 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 22.6 m-85 -61.23 -42.65 98.98 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.436 -0.347 . . . . 1.22 110.802 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -60.89 -39.72 90.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 1.15 110.47 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 10.7 t -73.81 -21.86 60.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.646 -0.252 . . . . 0.99 110.879 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 29' ' ' TYR . 60.6 mt -67.94 -52.43 39.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.44 110.012 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.09 -25.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.47 110.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.59 -50.86 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.268 -0.878 . . . . 2.22 111.104 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 32' ' ' SER . 18.4 pttm -104.8 25.62 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.221 -0.445 . . . . 2.08 111.486 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.92 62.1 1.33 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.763 -1.108 . . . . 2.6 112.653 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.506 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 21.7 mm-40 -97.28 -2.95 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 2.11 110.067 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.56 155.11 41.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.314 -0.857 . . . . 0.52 109.49 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -81.19 169.06 17.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.661 0.267 . . . . 1.82 111.03 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' B' ' 41' ' ' GLU . 1.6 mp0 -51.45 -57.11 9.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 2.19 112.179 -173.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.75 -35.05 78.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.793 0.33 . . . . 2.29 111.193 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -64.77 -41.0 97.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.39 111.664 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -38.52 75.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.085 0.469 . . . . 0.38 110.365 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.19 -46.17 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.407 -0.815 . . . . 1.84 111.32 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 31.5 p -70.43 -35.27 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.862 -0.335 . . . . 0.98 110.539 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 70.7 mt -64.43 -25.53 68.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.57 0.224 . . . . 0.41 110.779 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.86 -51.08 59.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.48 111.098 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.98 -34.07 68.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.661 -0.416 . . . . 0.36 110.169 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.523 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.45 -28.56 67.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.37 110.678 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.496 ' HE1' ' HB2' ' B' ' 30' ' ' PHE . 14.6 tpp -66.14 -48.33 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.65 110.384 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.61 -35.32 80.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 1.99 109.734 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 50' ' ' ALA . 1.6 t -58.09 -60.84 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.704 -0.68 . . . . 1.05 111.239 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 50' ' ' ALA . 62.3 mt -54.83 -45.01 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-O 120.978 0.418 . . . . 0.33 110.715 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.96 -53.16 60.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.903 -0.59 . . . . 0.8 111.053 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.34 -45.24 80.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 2.66 111.588 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -63.23 -40.17 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.41 111.644 -175.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -83.73 -20.37 33.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.416 -0.356 . . . . 1.24 111.497 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.92 37.47 6.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.728 -0.748 . . . . 0.42 113.224 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -136.13 158.74 43.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.893 -0.41 . . . . 1.23 109.893 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -91.41 142.82 27.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.044 0.45 . . . . 2.33 110.39 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.78 -20.2 65.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 3.67 110.864 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.27 -3.21 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 3.19 110.856 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.75 2.84 22.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.525 -0.307 . . . . 0.66 111.491 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.55 -38.96 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.53 111.816 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.3 t -66.64 -32.91 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 1.63 110.518 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' B' ' 71' ' ' LYS . . . -65.98 -46.42 81.43 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.969 -0.634 . . . . 0.74 111.816 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.94 -47.41 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.115 0.484 . . . . 0.7 110.365 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.41 -20.95 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.546 -0.752 . . . . 1.13 111.611 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.43 -29.22 27.93 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 1.24 112.08 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 67' ' ' GLY . 97.6 mttt -76.69 -47.35 22.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.912 0.386 . . . . 3.15 110.202 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -75.62 153.96 36.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.984 -0.553 . . . . 2.02 110.648 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -76.07 20.39 0.2 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.746 0.308 . . . . 2.64 111.782 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.406 ' CG ' HD11 ' B' ' 25' ' ' LEU . 60.6 m-85 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 109.841 -0.429 . . . . 1.7 109.841 175.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 m80 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.892 0.377 . . . . 1.95 110.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 83' ' ' LEU . 51.9 tp -54.1 -36.08 62.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.419 -0.81 . . . . 0.6 111.171 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -35.36 77.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 0.63 111.415 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.14 -42.17 80.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.192 -0.67 . . . . 2.3 109.192 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.11 -45.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.787 -1.097 . . . . 0.61 111.191 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.0 mp -68.2 -30.06 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.83 111.418 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.69 -21.9 61.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.318 0.58 . . . . 1.83 110.002 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 34.9 t -83.25 -10.7 58.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.629 -0.714 . . . . 1.5 110.445 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.424 0.631 . . . . 1.7 110.291 179.181 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.974 0.416 . . . . 1.09 110.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -73.48 159.49 33.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 1.32 110.181 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -54.05 -51.58 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 2.1 111.257 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.62 -38.54 81.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.768 -0.651 . . . . 1.57 111.461 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.61 -46.99 83.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.138 0.494 . . . . 1.54 110.493 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.5 mt -65.76 -49.74 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.61 -0.723 . . . . 0.44 110.964 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.21 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 0.2 110.984 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.55 97.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.31 110.922 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 74' ' ' PHE . 87.5 mt -70.11 -35.65 74.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.454 . . . . 0.46 110.698 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 22' ' ' ILE . 83.8 mt -63.65 -50.93 75.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.27 111.029 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.19 -30.76 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.24 110.546 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.0 -42.91 99.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.138 -0.483 . . . . 1.59 110.495 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.0 t80 -62.71 -51.67 66.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 1.25 110.789 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.82 -44.1 97.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.369 . . . . 1.22 111.467 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 51.6 p -65.78 -26.24 67.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.61 0.243 . . . . 1.15 110.844 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -74.3 -31.47 62.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.99 110.798 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.5 mt -68.9 -45.28 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.43 110.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.11 -16.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.839 -0.618 . . . . 0.47 111.219 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.8 tp10 -67.03 -49.74 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 2.22 110.29 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.35 4.84 51.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 2.08 111.238 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 58.1 61.94 2.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.848 -1.069 . . . . 2.6 111.326 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.37 -5.36 20.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 2.12 111.268 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -107.7 162.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.95 -0.568 . . . . 0.51 110.162 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -67.47 158.67 31.29 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.051 0.219 . . . . 1.82 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.94 -52.27 65.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.757 0.313 . . . . 2.19 111.771 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.58 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.048 0.452 . . . . 2.3 110.566 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -41.05 90.44 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 0.39 111.911 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.42 97.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.439 . . . . 0.38 110.635 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.02 -40.58 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.687 -0.688 . . . . 1.84 110.719 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -64.52 -32.85 74.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.043 -0.526 . . . . 0.98 110.817 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -71.64 -23.8 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.41 110.929 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.88 -51.74 30.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.555 -0.293 . . . . 0.48 110.514 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.31 -36.47 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.36 110.406 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.54 -33.11 74.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.37 110.632 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.9 tpp -57.67 -47.37 82.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.662 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.29 -42.86 99.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.869 -0.605 . . . . 1.99 110.429 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.64 -48.94 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 1.05 111.795 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 50' ' ' ALA . 45.7 mt -62.47 -50.03 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.34 110.743 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 25.9 p -63.73 -46.1 86.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.082 -0.508 . . . . 0.8 111.108 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.03 -32.48 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 2.66 110.915 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.87 -38.51 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.38 -0.373 . . . . 0.42 111.583 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 52.2 m-85 -95.06 -14.28 24.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 1.24 111.628 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.86 43.66 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.79 -0.719 . . . . 0.43 113.231 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 55' ' ' SER . 44.1 p90 -148.45 169.73 19.58 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.558 -0.534 . . . . 1.22 109.558 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -114.2 163.79 14.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.395 -0.224 . . . . 2.33 110.395 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.4 ttt180 -56.77 -43.81 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.453 0.168 . . . . 3.67 111.4 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.64 -9.6 20.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.064 0.394 . . . . 3.2 112.064 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -6.21 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.651 -0.249 . . . . 0.67 111.402 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 62' ' ' ARG . 10.8 p -63.84 -36.98 78.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.596 0.236 . . . . 0.54 111.071 -176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 p -61.9 -42.58 99.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.874 0.368 . . . . 1.63 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -64.26 -48.04 78.69 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.985 -0.626 . . . . 0.76 112.002 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.05 -47.38 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.71 110.638 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 mt -64.88 -34.15 77.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 1.14 111.678 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.58 -29.57 72.89 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 1.25 112.333 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 34.9 mmtp -84.47 -37.53 21.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 3.16 110.759 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.2 p -61.98 155.45 23.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.02 112.079 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.1 17.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 2.64 110.416 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CG ' HD11 ' A' ' 25' ' ' LEU . 78.7 m-85 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 1.7 110.072 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.519 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 38.3 m80 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 109.66 -0.496 . . . . 1.96 109.66 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 83' ' ' LEU . 43.6 tp -53.17 -32.31 47.19 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.259 -0.882 . . . . 0.6 111.46 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.86 69.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.63 111.342 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 4.5 m-20 -62.75 -37.71 87.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.263 0.554 . . . . 2.3 109.93 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.56 -52.73 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.362 -0.835 . . . . 0.61 110.773 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.4 mp -62.54 -36.08 81.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.83 111.308 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.67 -38.06 80.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.312 0.577 . . . . 1.83 109.963 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -78.75 -20.41 50.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.618 . . . . 1.5 111.174 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' B' ' 86' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.949 0.404 . . . . 1.71 111.404 -176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.936 0.398 . . . . 1.09 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -73.63 159.4 33.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.142 -0.481 . . . . 1.33 110.196 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -53.94 -51.58 63.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 2.1 111.218 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.64 -38.59 81.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.58 111.516 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.74 -46.87 83.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.048 0.452 . . . . 1.54 110.466 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' B' ' 26' ' ' ILE . 70.5 mt -65.82 -49.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.44 110.934 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.14 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.2 110.916 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.49 97.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.665 -0.698 . . . . 0.31 110.906 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' B' ' 74' ' ' PHE . 87.5 mt -70.18 -35.54 74.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.007 0.432 . . . . 0.46 110.773 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 22' ' ' ILE . 83.6 mt -63.7 -50.99 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 0.27 111.02 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.02 -30.99 50.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.23 110.554 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.96 -42.8 99.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.111 -0.495 . . . . 1.58 110.474 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.566 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.0 t80 -62.86 -51.7 65.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.225 -0.443 . . . . 1.25 110.703 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.67 -44.19 96.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.468 -0.333 . . . . 1.22 111.54 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 47.8 p -65.79 -26.1 67.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.77 0.319 . . . . 1.15 110.896 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -74.47 -31.49 62.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.795 0.331 . . . . 0.99 110.861 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.3 mt -68.83 -45.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.095 0.474 . . . . 0.44 110.373 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.05 -16.13 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.47 111.239 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 31' ' ' SER . 9.6 tp10 -66.98 -49.69 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 2.22 110.266 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.51 5.24 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.271 0.558 . . . . 2.08 111.275 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 57.83 62.15 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 114.832 -1.076 . . . . 2.6 111.288 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.53 -5.48 20.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 2.11 111.312 -176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.1 tt -107.32 162.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.901 -0.59 . . . . 0.52 110.131 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 14.3 m -67.45 158.44 31.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.722 -0.217 . . . . 1.82 110.938 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.91 -52.3 65.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 2.19 111.758 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.54 -32.81 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 2.29 110.55 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -67.74 -40.94 89.83 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.796 -0.716 . . . . 0.39 111.877 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.015 0.436 . . . . 0.38 110.59 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.85 -40.79 96.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 1.84 110.826 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -64.64 -32.43 74.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.929 -0.578 . . . . 0.98 110.915 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.86 -23.68 61.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.295 . . . . 0.41 110.954 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.84 -51.87 29.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.54 -0.3 . . . . 0.48 110.538 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.24 -36.48 77.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.36 110.403 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.57 -33.21 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.445 -0.343 . . . . 0.37 110.634 177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 17.2 tpp -57.71 -47.35 82.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.65 110.618 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.1 -43.06 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.99 110.405 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.52 -48.98 77.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 1.05 111.85 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 50' ' ' ALA . 46.3 mt -62.56 -50.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.33 110.636 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 25.3 p -63.68 -46.08 87.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.149 -0.478 . . . . 0.8 111.137 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.98 -32.61 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 2.66 111.017 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.422 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.75 -38.56 89.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.41 111.601 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 52.7 m-85 -95.08 -14.16 24.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.469 -0.332 . . . . 1.24 111.601 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 43.19 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.65 -0.786 . . . . 0.42 113.377 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' B' ' 55' ' ' SER . 44.0 p90 -147.97 169.7 19.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.609 -0.515 . . . . 1.23 109.609 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.11 163.83 14.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.426 -0.212 . . . . 2.33 110.426 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.552 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.3 ttt180 -56.82 -44.01 81.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.47 0.176 . . . . 3.67 111.366 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.4 -9.78 20.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.986 0.365 . . . . 3.19 111.986 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.7 -6.25 40.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.736 -0.211 . . . . 0.66 111.444 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.0 p -63.89 -37.1 78.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.684 0.278 . . . . 0.53 110.989 -176.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.0 p -61.77 -42.4 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 1.63 110.922 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' B' ' 71' ' ' LYS . . . -64.44 -47.94 79.0 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.94 -0.647 . . . . 0.74 111.94 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.28 -47.25 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.7 110.607 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 mt -64.99 -34.0 77.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 1.13 111.707 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.44 -29.9 73.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 1.24 112.191 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' B' ' 67' ' ' GLY . 35.0 mmtp -84.48 -37.29 21.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.384 . . . . 3.15 110.696 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.4 ' C ' ' H ' ' B' ' 74' ' ' PHE . 97.3 p -62.24 155.21 25.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.662 -0.699 . . . . 2.02 112.153 -175.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -77.94 17.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.524 -0.762 . . . . 2.64 110.378 176.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.505 ' CG ' HD11 ' B' ' 25' ' ' LEU . 78.6 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.194 -0.457 . . . . 1.7 110.17 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . 0.506 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 38.3 m80 . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.681 -0.488 . . . . 1.95 109.681 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HD13 ' B' ' 83' ' ' LEU . 43.8 tp -53.22 -32.23 47.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.256 -0.884 . . . . 0.6 111.418 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.73 69.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.297 -0.41 . . . . 0.63 111.305 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . 0.506 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 4.5 m-20 -62.71 -37.7 87.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.246 0.546 . . . . 2.3 110.014 177.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.62 -52.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.26 -0.882 . . . . 0.61 110.752 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.499 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.4 mp -62.45 -36.15 81.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.83 111.196 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.63 -38.08 80.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.271 0.557 . . . . 1.83 109.954 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -19.83 50.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.925 -0.58 . . . . 1.5 111.238 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 1.7 111.387 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.037 0.446 . . . . 1.09 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -74.13 150.75 40.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.32 110.08 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.79 -46.65 74.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.831 0.678 . . . . 2.1 112.831 -170.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.16 -31.41 72.24 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.014 -0.274 . . . . 1.57 111.137 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.04 -42.36 80.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 1.54 109.495 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' ILE . 94.0 mt -64.07 -46.53 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.932 -1.031 . . . . 0.44 110.582 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.94 -38.03 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.896 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.32 92.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.31 110.942 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 74' ' ' PHE . 48.8 mt -69.0 -37.09 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.502 -0.317 . . . . 0.46 110.889 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.9 mt -65.01 -52.4 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.27 110.961 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.706 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.0 m -65.65 -32.19 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.842 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.04 -40.33 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 1.59 110.222 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.8 t80 -63.53 -45.15 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.25 110.384 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 15.3 m-30 -59.27 -40.8 87.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 1.22 110.327 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 m -68.03 -28.39 67.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.627 . . . . 1.15 110.584 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 -32.95 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.99 110.269 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 29' ' ' TYR . 64.9 mt -64.44 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.43 110.571 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -81.6 -20.67 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.47 110.57 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.52 -51.05 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 2.22 109.737 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -16.7 60.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.41 0.624 . . . . 2.08 110.07 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 56.49 52.48 9.83 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 114.277 -1.328 . . . . 2.6 111.261 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.07 -13.25 27.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.76 0.79 . . . . 2.12 109.038 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.04 149.51 6.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.907 -1.042 . . . . 0.51 109.982 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -83.49 169.15 15.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.48 -0.327 . . . . 1.82 110.43 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 1.8 mp0 -50.99 -52.27 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.305 0.642 . . . . 2.19 112.639 -172.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.0 -45.34 90.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.816 0.341 . . . . 2.3 111.018 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.67 99.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.848 -0.692 . . . . 0.39 111.955 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.86 87.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.815 0.34 . . . . 0.38 110.626 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -36.71 84.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.159 -0.473 . . . . 1.84 110.696 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 m -62.21 -37.29 84.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.98 110.308 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.54 -27.84 62.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.41 110.652 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.62 -48.93 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.481 -0.327 . . . . 0.48 110.942 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.08 -38.4 81.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.695 -0.402 . . . . 0.36 110.083 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.0 -32.21 73.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.37 110.55 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.706 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.7 tpp -57.54 -49.28 76.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.65 110.666 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.73 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 1.99 110.466 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -60.69 -49.73 76.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.444 -0.798 . . . . 1.05 111.09 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.3 mt -61.07 -46.67 96.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.369 . . . . 0.34 110.475 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.51 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 41.7 m -57.2 -52.77 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.8 111.332 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.34 -28.63 63.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.735 0.303 . . . . 2.66 111.194 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.48 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.42 111.229 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.51 -21.5 32.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.036 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.31 42.15 4.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.947 -0.644 . . . . 0.43 113.175 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 24.2 p90 -137.59 155.12 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.104 -0.332 . . . . 1.22 110.104 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.72 145.54 26.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 2.33 110.34 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 65' ' ' VAL . 14.4 ttm180 -65.34 -21.72 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 3.67 110.923 -175.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 0.72 55.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.875 0.369 . . . . 3.2 111.03 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.37 0.27 24.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.67 111.443 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 62' ' ' ARG . 2.9 p -60.37 -42.48 91.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.648 -0.251 . . . . 0.54 111.294 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -65.45 -29.74 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.049 0.452 . . . . 1.63 110.048 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.44 39.13 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.759 -0.655 . . . . 0.76 112.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.13 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.411 . . . . 0.71 110.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.2 -3.14 28.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.193 0.521 . . . . 1.14 111.208 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.4 24.89 5.51 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.413 -1.075 . . . . 1.25 110.413 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.12 -64.52 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.217 -0.491 . . . . 3.16 110.425 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.1 m -87.24 -73.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.36 . . . . 2.02 110.708 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -160.72 -151.76 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.53 -0.545 . . . . 2.64 109.53 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.435 ' CG ' HD11 ' A' ' 25' ' ' LEU . 49.1 m-85 . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 108.366 -0.975 . . . . 1.7 108.366 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.8 m80 . . . . . 0 CA--C 1.517 -0.309 0 N-CA-C 108.768 -0.827 . . . . 1.96 108.768 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 83' ' ' LEU . 29.1 tp -55.84 -47.04 77.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.6 110.813 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.34 88.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.63 111.65 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.11 -44.22 91.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 2.3 109.605 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.56 -52.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.61 111.264 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.8 mp -65.74 -29.36 69.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.83 111.577 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.33 -22.36 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.958 0.409 . . . . 1.83 110.186 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -82.98 -26.82 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 1.5 110.096 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 1.71 109.855 177.12 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.073 0.463 . . . . 1.09 110.753 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 150.72 39.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.98 -0.554 . . . . 1.33 110.271 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.72 -46.67 74.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.761 0.652 . . . . 2.1 112.761 -169.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.07 -31.63 72.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.636 0.255 . . . . 1.58 111.152 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.02 -42.33 80.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.49 0.662 . . . . 1.54 109.443 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.461 ' O ' HG13 ' B' ' 26' ' ' ILE . 93.8 mt -64.2 -46.48 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.951 -1.022 . . . . 0.44 110.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.11 69.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.2 110.929 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.45 92.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.31 111.027 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' B' ' 74' ' ' PHE . 49.0 mt -68.94 -37.08 78.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.948 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 22' ' ' ILE . 80.7 mt -64.97 -52.32 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.27 111.009 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.696 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.0 m -65.75 -32.17 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.454 -0.339 . . . . 0.23 110.732 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.97 -40.48 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 1.58 110.282 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.519 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.7 t80 -63.43 -45.13 92.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 1.25 110.408 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 15.3 m-30 -59.37 -40.65 87.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 1.22 110.318 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 47.0 m -67.99 -28.63 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.879 -0.6 . . . . 1.15 110.542 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.37 -33.02 66.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.42 -0.355 . . . . 0.99 110.271 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.1 mt -64.44 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.44 110.526 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.44 -20.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.496 -0.32 . . . . 0.47 110.539 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -67.73 -50.76 55.7 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.734 -0.469 . . . . 2.22 109.734 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -16.36 59.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.442 0.639 . . . . 2.08 110.044 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 56.26 52.57 10.0 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.195 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.08 -13.33 26.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.768 0.794 . . . . 2.11 109.088 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.0 tt -100.96 149.42 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.52 110.04 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -83.44 168.94 16.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.588 -0.278 . . . . 1.82 110.52 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 41' ' ' GLU . 1.8 mp0 -50.79 -52.05 44.71 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.767 0.654 . . . . 2.19 112.767 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.16 -45.41 91.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.769 0.319 . . . . 2.29 111.019 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.62 99.33 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.835 -0.698 . . . . 0.39 111.978 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.62 88.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.32 . . . . 0.38 110.645 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.113 0.482 . . . . 1.84 110.56 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -62.19 -37.14 84.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.791 -0.64 . . . . 0.98 110.365 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -72.54 -27.81 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.616 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.55 -49.2 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.459 -0.337 . . . . 0.48 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.86 -38.28 81.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.966 0.412 . . . . 0.36 110.164 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.521 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.18 -32.14 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.37 110.55 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.696 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.7 tpp -57.57 -49.34 76.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.888 -0.597 . . . . 0.65 110.704 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -64.82 -40.33 95.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 1.99 110.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.6 m -60.58 -49.82 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.541 -0.754 . . . . 1.05 111.125 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.1 mt -61.15 -46.7 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.33 110.439 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 40.4 m -57.1 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.8 111.265 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.28 -28.57 63.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.628 -0.26 . . . . 2.66 111.15 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.44 73.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.41 111.253 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.25 -21.67 33.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 1.24 111.073 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.4 42.01 4.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.852 -0.69 . . . . 0.42 113.113 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 24.5 p90 -137.57 155.2 49.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.943 0.372 . . . . 1.23 110.059 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.83 145.4 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.184 -0.462 . . . . 2.33 110.359 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.449 ' O ' HG12 ' B' ' 65' ' ' VAL . 14.3 ttm180 -65.05 -21.47 66.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.511 -0.768 . . . . 3.67 111.114 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 0.68 55.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.929 0.395 . . . . 3.19 110.918 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.25 0.13 24.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.66 111.358 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.449 HG12 ' O ' ' B' ' 62' ' ' ARG . 2.9 p -60.23 -42.38 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.686 -0.234 . . . . 0.53 111.262 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -65.8 -29.22 69.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.179 0.514 . . . . 1.63 110.079 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.56 37.17 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.877 -0.601 . . . . 0.74 112.04 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.2 -41.54 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.392 . . . . 0.7 110.92 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.33 -2.92 27.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.171 0.51 . . . . 1.13 111.274 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.44 24.84 5.51 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.341 -1.104 . . . . 1.24 110.341 173.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -108.91 -64.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.225 -0.487 . . . . 3.15 110.546 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.7 m -87.16 -73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.917 0.389 . . . . 2.02 110.551 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -160.5 -151.68 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.987 -0.551 . . . . 2.64 109.618 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.437 ' CG ' HD11 ' B' ' 25' ' ' LEU . 49.2 m-85 . . . . . 0 N--CA 1.465 0.31 0 N-CA-C 108.421 -0.955 . . . . 1.7 108.421 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.754 -0.832 . . . . 1.95 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 83' ' ' LEU . 29.1 tp -55.96 -47.16 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.4 . . . . 0.6 110.702 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.43 89.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.208 -0.451 . . . . 0.63 111.669 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.05 -44.14 91.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.37 0.605 . . . . 2.3 109.652 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.65 -52.95 54.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.962 -1.017 . . . . 0.61 111.234 177.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.8 mp -65.57 -29.41 70.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.042 -0.526 . . . . 0.83 111.597 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.37 -22.21 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.09 0.471 . . . . 1.83 110.24 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -26.88 30.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 1.5 110.05 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 1.7 109.853 177.118 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.605 -0.517 . . . . 1.09 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -72.09 159.11 34.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.802 -0.636 . . . . 1.32 109.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 36.3 mtmm -50.52 -49.35 55.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.581 0.229 . . . . 2.1 111.539 -176.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.05 -33.64 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 1.57 111.466 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 72' ' ' SER . 51.1 mt-10 -68.71 -41.09 79.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.22 0.533 . . . . 1.54 110.212 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.6 mt -68.55 -47.17 78.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.544 -0.753 . . . . 0.44 110.538 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.76 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.2 110.839 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.83 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.31 110.587 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -65.51 -36.74 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.46 111.177 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 22' ' ' ILE . 71.7 mt -61.59 -51.16 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.875 -0.602 . . . . 0.27 110.934 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.59 -30.78 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.889 -0.324 . . . . 0.24 110.659 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 78' ' ' HIS . 17.5 t-20 -60.93 -45.47 94.56 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.245 -0.434 . . . . 1.59 110.632 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.2 t80 -60.15 -51.33 70.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 1.25 110.628 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.39 -39.64 91.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.363 -0.381 . . . . 1.22 110.726 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -60.63 -41.9 95.81 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.15 110.364 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.8 t -65.23 -37.14 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.77 0.319 . . . . 0.99 110.41 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' TYR . 65.4 mt -63.19 -45.95 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.416 . . . . 0.43 111.035 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.14 -24.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.47 111.273 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.14 -51.24 59.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 2.22 110.086 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -77.84 -11.91 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.558 0.694 . . . . 2.08 110.27 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp 58.25 53.77 6.25 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.113 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.77 -26.98 21.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.656 0.741 . . . . 2.12 109.476 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.522 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.4 tt -88.95 156.73 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 114.952 -1.022 . . . . 0.51 110.58 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.59 167.33 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.406 -0.361 . . . . 1.82 110.889 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -57.68 -54.38 47.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.625 -0.262 . . . . 2.19 111.52 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.21 -38.82 87.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 2.3 110.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.55 99.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.882 -0.675 . . . . 0.39 112.043 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.64 91.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.38 110.674 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.05 -37.02 83.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.907 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -64.15 -41.5 97.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 0.98 110.151 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.75 -29.78 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.123 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.37 -60.15 3.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.48 110.809 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.6 -36.83 76.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.944 0.402 . . . . 0.36 110.71 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.92 -35.08 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.37 110.679 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.474 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 11.6 ttm -70.76 -38.59 73.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.213 -0.449 . . . . 0.65 110.984 -176.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.64 -40.51 95.13 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.34 -0.615 . . . . 1.99 109.34 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 78.1 m -60.26 -51.56 69.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.354 -0.839 . . . . 1.05 110.791 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 50' ' ' ALA . 55.1 mt -55.85 -53.23 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.201 0.524 . . . . 0.34 110.449 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 17.9 m -59.62 -51.55 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.495 -0.775 . . . . 0.8 111.689 -175.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.56 -35.78 75.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.404 -0.362 . . . . 2.66 111.13 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.33 -41.8 93.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.447 -0.342 . . . . 0.42 111.363 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 44.1 m-85 -82.55 -29.49 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.884 0.373 . . . . 1.24 111.294 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.32 37.35 3.83 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.771 -0.728 . . . . 0.43 113.055 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' SER . 27.7 p90 -138.98 159.48 42.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.623 -0.51 . . . . 1.22 109.623 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -103.04 154.53 19.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.305 0.574 . . . . 2.33 110.754 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 65' ' ' VAL . 80.4 mtm180 -64.71 -18.49 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.198 -0.91 . . . . 3.67 112.614 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.64 -7.28 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 3.2 110.832 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -96.98 -2.93 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.838 0.351 . . . . 0.67 111.224 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 p -57.62 -44.41 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.977 -0.556 . . . . 0.54 111.86 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -65.27 -35.56 81.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 1.63 111.004 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.06 -37.0 82.11 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.019 -0.61 . . . . 0.76 111.973 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.1 mt -66.54 -43.99 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.71 110.241 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 95.2 mt -63.65 -41.73 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.816 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.27 -25.77 67.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.069 -0.586 . . . . 1.25 113.091 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -94.61 0.11 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.723 -0.281 . . . . 3.16 111.426 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 21.9 p -119.56 -173.56 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.299 0.481 . . . . 2.02 112.299 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.14 -19.32 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.64 111.458 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.3 m-85 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.606 -0.724 . . . . 1.7 111.342 -170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.553 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 34.5 m80 . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.731 0.3 . . . . 1.96 110.512 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.422 HD11 HD11 ' B' ' 79' ' ' LEU . 60.3 tp -55.16 -38.05 67.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.805 -0.634 . . . . 0.6 111.022 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.41 84.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.829 -0.623 . . . . 0.63 112.013 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 7.0 m-20 -58.08 -40.44 81.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.494 0.664 . . . . 2.3 109.818 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.24 -53.53 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.009 -0.996 . . . . 0.61 111.075 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.24 -33.31 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.164 0.431 . . . . 0.83 112.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -62.26 -40.46 96.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.332 0.587 . . . . 1.83 110.176 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.1 -42.56 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.5 110.919 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 1.71 111.496 -177.708 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.636 -0.505 . . . . 1.09 109.636 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.2 t -72.13 159.31 34.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.605 . . . . 1.33 109.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' B' ' 58' ' ' PHE . 36.3 mtmm -50.72 -49.16 58.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.639 0.257 . . . . 2.1 111.631 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.1 -33.64 76.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.426 -0.352 . . . . 1.58 111.498 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' B' ' 72' ' ' SER . 51.5 mt-10 -68.81 -41.2 78.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.314 0.578 . . . . 1.54 110.18 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.4 mt -68.32 -47.31 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.44 110.48 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.78 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.2 110.82 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.85 74.81 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.31 110.584 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.445 HD11 ' CD1' ' B' ' 74' ' ' PHE . 17.1 mt -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.46 111.134 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 22' ' ' ILE . 71.9 mt -61.48 -51.26 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.001 -0.545 . . . . 0.27 110.956 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.48 -30.86 44.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.987 -0.285 . . . . 0.23 110.66 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' B' ' 78' ' ' HIS . 17.3 t-20 -60.95 -45.43 94.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.643 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.468 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.3 t80 -60.13 -51.29 70.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.567 . . . . 1.25 110.673 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.6 -39.54 91.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 1.22 110.694 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -60.5 -41.99 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.15 110.395 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 14.0 t -65.12 -37.2 86.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.99 110.412 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.7 mt -63.3 -45.83 97.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.44 111.131 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.07 -25.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.65 -0.25 . . . . 0.47 111.219 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.05 -51.29 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 2.22 110.065 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.2 OUTLIER -77.95 -11.66 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.524 0.678 . . . . 2.08 110.216 178.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp 57.89 53.88 6.57 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 114.248 -1.342 . . . . 2.6 111.204 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.87 -27.03 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.771 0.796 . . . . 2.11 109.543 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -88.85 156.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.52 110.436 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.47 167.09 17.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.4 -0.364 . . . . 1.82 110.997 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.88 -53.79 54.19 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 111.588 0.218 . . . . 2.19 111.588 -173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.53 -38.92 89.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.488 -0.323 . . . . 2.29 110.721 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.15 -43.66 99.13 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.881 -0.676 . . . . 0.39 112.01 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.62 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.38 110.623 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.17 -36.84 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.882 -0.599 . . . . 1.84 110.881 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.5 m -64.24 -41.45 96.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.179 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.77 -29.84 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.41 111.099 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.32 -60.27 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.454 -0.339 . . . . 0.48 110.729 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.49 -36.92 77.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.97 0.414 . . . . 0.36 110.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.0 -34.89 78.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.37 110.801 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 11.4 ttm -70.66 -38.73 73.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.156 -0.475 . . . . 0.65 111.076 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.58 -40.57 95.22 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.299 -0.63 . . . . 1.99 109.299 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 78.0 m -60.23 -51.55 69.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 1.05 110.814 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.9 mt -55.68 -53.36 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.177 0.513 . . . . 0.33 110.497 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.0 m -59.53 -51.62 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.458 -0.792 . . . . 0.8 111.627 -175.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.63 -35.77 75.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 2.66 111.173 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.21 -41.95 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.41 111.425 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' B' ' 19' ' ' LYS . 44.5 m-85 -81.98 -30.52 31.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 1.24 111.177 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 38.09 3.56 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.741 -0.742 . . . . 0.42 112.861 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 55' ' ' SER . 27.6 p90 -139.53 159.43 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.622 -0.51 . . . . 1.23 109.622 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -103.06 154.48 19.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.13 0.491 . . . . 2.33 110.768 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -64.92 -18.18 65.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.282 -0.872 . . . . 3.67 112.587 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -90.63 -7.58 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.95 0.405 . . . . 3.19 110.75 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.433 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -96.75 -2.8 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.287 -0.415 . . . . 0.66 111.14 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 3.2 p -57.97 -44.42 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.53 111.871 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -65.33 -35.57 81.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.799 0.333 . . . . 1.63 111.036 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.85 -36.67 82.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.929 -0.653 . . . . 0.74 111.957 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 64' ' ' ALA . 73.8 mt -66.95 -44.09 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.7 110.289 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 95.0 mt -63.5 -41.66 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.735 -0.666 . . . . 1.13 110.857 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.45 -25.66 67.22 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.132 -0.556 . . . . 1.24 112.971 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -94.66 0.37 55.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.711 -0.287 . . . . 3.15 111.563 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.421 ' HB3' ' OE2' ' B' ' 21' ' ' GLU . 22.2 p -119.88 -173.5 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.244 0.461 . . . . 2.02 112.244 -174.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.16 -19.34 65.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.687 -0.688 . . . . 2.64 111.502 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.445 ' CD1' HD11 ' B' ' 25' ' ' LEU . 6.3 m-85 . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.66 -0.7 . . . . 1.7 111.352 -170.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . 0.552 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 34.5 m80 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.777 0.323 . . . . 1.95 110.476 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 60.2 tp -55.05 -38.01 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.65 . . . . 0.6 111.155 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.38 84.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.765 -0.652 . . . . 0.63 112.009 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 6.9 m-20 -58.15 -40.67 81.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.58 0.705 . . . . 2.3 109.764 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.92 -53.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.967 -1.015 . . . . 0.61 111.067 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.45 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.109 0.411 . . . . 0.83 112.109 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.23 -40.84 97.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.368 0.604 . . . . 1.83 110.106 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -77.73 -42.39 34.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.417 -0.811 . . . . 1.5 111.039 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 1.7 111.525 -177.678 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' B' ' 80' ' ' ALA . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 120.939 0.399 . . . . 1.09 111.236 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.7 t -65.5 145.58 55.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.806 -0.813 . . . . 1.32 108.806 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -53.83 -42.81 68.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.703 0.287 . . . . 2.1 111.334 -169.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.5 -30.43 70.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.078 -0.51 . . . . 1.57 111.562 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 56.7 mt-10 -68.98 -37.28 78.67 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.182 0.515 . . . . 1.54 110.616 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.0 mt -68.04 -50.41 59.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.7 -0.682 . . . . 0.44 109.79 178.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.61 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.477 -0.783 . . . . 0.2 110.794 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -55.91 -51.42 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.31 110.947 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 74' ' ' PHE . 49.5 mt -69.08 -34.87 75.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.727 0.299 . . . . 0.46 110.906 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 22' ' ' ILE . 63.4 mt -60.13 -52.2 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.27 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.79 -30.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.637 0.256 . . . . 0.24 110.802 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.98 -41.84 98.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.036 0.446 . . . . 1.59 109.947 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 53.9 t80 -63.68 -48.92 75.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.98 -0.555 . . . . 1.25 110.743 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.73 -41.05 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 1.22 110.841 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 t -66.38 -35.34 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.394 -0.366 . . . . 1.15 110.084 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -64.64 -31.95 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.99 110.569 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 56.2 mt -63.26 -49.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.43 110.564 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.66 -23.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 0.47 110.81 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -38.94 80.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.928 -0.578 . . . . 2.22 110.99 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -102.04 2.76 38.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 2.08 110.927 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.79 57.84 5.67 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.262 -0.881 . . . . 2.6 110.302 -174.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.35 -32.78 24.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.947 0.879 . . . . 2.12 109.195 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.5 tt -103.63 155.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.515 -1.221 . . . . 0.51 110.613 -173.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 t -81.38 179.44 7.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.197 -0.456 . . . . 1.82 110.64 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -58.79 -50.67 73.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.096 -0.502 . . . . 2.19 111.731 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.47 -47.7 78.66 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.923 0.392 . . . . 2.3 110.99 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -65.38 -43.54 94.83 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.264 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.48 89.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.38 110.854 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -39.57 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 1.84 111.363 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 p -69.87 -31.88 69.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.831 0.348 . . . . 0.98 110.662 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 63.8 mt -67.29 -27.12 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.41 110.593 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.5 m120 -68.13 -49.06 63.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.434 -0.348 . . . . 0.48 111.027 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.15 -33.8 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.971 0.415 . . . . 0.36 110.173 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -67.8 -32.91 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.37 110.657 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 tpp -57.85 -52.04 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.714 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.05 -27.92 69.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.036 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.73 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.417 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.3 mt -64.11 -48.83 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.34 110.678 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.549 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 29.7 p -61.95 -49.17 77.2 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.05 -0.523 . . . . 0.8 111.308 -176.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.69 -22.89 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 2.66 110.886 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -70.73 -47.37 60.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.489 . . . . 0.42 111.309 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 77.1 m-85 -86.97 -27.27 23.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 1.24 111.975 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.28 31.56 4.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.286 -0.959 . . . . 0.43 113.322 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' SER . 41.4 p90 -138.16 149.19 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 1.22 109.197 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -85.77 159.64 19.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.032 -0.267 . . . . 2.33 110.596 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.675 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.5 ttp180 -54.81 -48.81 72.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.726 0.298 . . . . 3.67 111.153 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.0 -8.7 51.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.932 0.345 . . . . 3.2 111.932 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.59 -12.34 48.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.472 0.177 . . . . 0.67 111.444 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 62' ' ' ARG . 11.4 p -65.26 -30.9 51.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.895 0.378 . . . . 0.54 110.907 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -61.74 -40.89 96.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 1.63 110.331 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.95 -36.99 87.45 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.953 -0.642 . . . . 0.76 111.99 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.97 -48.87 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.432 . . . . 0.71 110.095 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.79 0.78 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.949 -0.569 . . . . 1.14 111.597 -177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.72 -44.4 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 1.25 111.242 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -84.57 -41.87 16.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.84 -0.18 . . . . 3.16 111.44 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.2 m -67.42 151.82 46.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.565 . . . . 2.02 111.692 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.32 -13.92 62.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.259 -0.882 . . . . 2.64 111.039 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.616 ' CE1' ' HB3' ' B' ' 83' ' ' LEU . 64.7 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.877 -0.602 . . . . 1.7 110.428 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 109.158 -0.682 . . . . 1.96 109.158 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' LEU . 61.3 tp -55.59 -33.04 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.164 -0.925 . . . . 0.6 111.6 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 17' ' ' ALA . . . -63.93 -48.73 75.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.282 -0.417 . . . . 0.63 111.312 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.51 -41.09 96.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.252 0.548 . . . . 2.3 110.18 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.58 -47.29 82.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.052 -0.976 . . . . 0.61 110.769 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' CE1' ' B' ' 74' ' ' PHE . 5.9 mp -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.769 -0.651 . . . . 0.83 111.176 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.81 -13.52 61.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.854 0.359 . . . . 1.83 111.273 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.5 m -82.24 -9.31 59.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.293 -0.412 . . . . 1.5 110.911 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 1.71 110.93 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 80' ' ' ALA . . . . . . . . 0 CA--C 1.517 -0.306 0 CA-C-O 120.979 0.418 . . . . 1.09 111.21 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 36.6 t -65.62 145.34 56.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.791 -0.818 . . . . 1.33 108.791 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -53.67 -42.68 68.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.65 0.262 . . . . 2.1 111.371 -169.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.61 -30.5 70.8 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.522 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 56.5 mt-10 -68.85 -37.36 79.08 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.192 0.52 . . . . 1.54 110.594 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.523 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.8 mt -67.98 -50.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.681 -0.69 . . . . 0.44 109.794 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.64 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.2 110.751 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -55.8 -51.57 67.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.31 110.921 176.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 74' ' ' PHE . 50.8 mt -68.86 -34.93 76.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.307 . . . . 0.46 110.969 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 22' ' ' ILE . 63.5 mt -60.12 -52.26 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.27 110.93 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.75 -30.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 121.082 -0.247 . . . . 0.23 110.766 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.13 -41.86 98.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.886 -0.413 . . . . 1.58 109.886 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.4 t80 -63.56 -48.99 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 1.25 110.776 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -59.78 -40.93 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 1.22 110.853 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 t -66.5 -35.19 79.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.367 -0.379 . . . . 1.15 110.177 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.9 t -64.74 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.99 110.499 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 29' ' ' TYR . 55.8 mt -63.2 -49.76 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.613 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.68 -23.75 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.852 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.96 -39.17 80.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.971 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -101.83 2.9 38.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 2.08 110.904 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.55 58.07 5.53 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.297 -0.865 . . . . 2.6 110.329 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.65 -32.39 23.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.999 0.904 . . . . 2.11 109.197 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -103.8 155.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.528 -1.214 . . . . 0.52 110.679 -173.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 t -81.11 179.33 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.084 -0.507 . . . . 1.82 110.815 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -58.82 -50.71 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.759 -171.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.41 -47.8 78.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 2.29 110.979 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.467 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -65.24 -43.66 94.98 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.899 -0.667 . . . . 0.39 112.26 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.47 89.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.38 110.79 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.88 -39.43 87.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 1.84 111.328 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.5 p -70.0 -31.67 69.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.98 110.601 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 64.0 mt -67.6 -26.94 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.29 . . . . 0.41 110.596 174.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.08 -49.13 63.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.471 -0.331 . . . . 0.48 111.047 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.95 -34.01 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.36 110.216 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.553 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -67.71 -33.01 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.37 110.567 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.4 tpp -57.83 -52.04 67.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.65 110.663 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.03 -27.97 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.99 111.066 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.67 -45.52 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 1.05 110.398 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.2 mt -63.94 -48.9 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.42 . . . . 0.33 110.73 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.546 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 29.0 p -61.97 -49.07 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.8 111.306 -176.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -68.87 -22.68 64.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 2.66 110.922 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.82 -47.34 59.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.064 -0.517 . . . . 0.41 111.356 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 77.0 m-85 -87.03 -27.09 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.103 0.409 . . . . 1.24 112.103 -174.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.57 4.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.272 -0.966 . . . . 0.42 113.402 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' B' ' 55' ' ' SER . 41.2 p90 -138.2 149.23 45.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.252 -0.648 . . . . 1.23 109.252 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -85.87 159.51 19.67 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 121.13 -0.228 . . . . 2.33 110.557 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.674 ' O ' HG12 ' B' ' 65' ' ' VAL . 46.4 ttp180 -54.63 -49.12 71.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.564 0.221 . . . . 3.67 111.076 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.87 -8.5 49.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.015 0.376 . . . . 3.19 112.015 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.65 -12.49 48.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.537 0.199 . . . . 0.66 111.537 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.2 p -65.15 -30.98 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.53 110.734 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.0 t -61.72 -40.71 96.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 1.63 110.367 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.05 86.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.943 -0.646 . . . . 0.74 111.941 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.85 -48.89 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.7 110.14 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.95 0.97 11.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 1.13 111.569 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 -44.38 4.85 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.524 -0.846 . . . . 1.24 111.181 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -84.6 -41.93 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.197 . . . . 3.15 111.407 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -67.43 151.85 46.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.179 0.514 . . . . 2.02 111.706 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -71.23 -14.07 62.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.337 -0.847 . . . . 2.64 111.043 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 64.6 m-85 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.902 -0.59 . . . . 1.7 110.482 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.267 -0.642 . . . . 1.95 109.267 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' B' ' 25' ' ' LEU . 61.5 tp -55.57 -33.07 63.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.173 -0.922 . . . . 0.6 111.563 -174.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' A' ' 17' ' ' ALA . . . -63.87 -48.77 75.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.273 -0.421 . . . . 0.63 111.305 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.35 -41.28 96.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.497 0.665 . . . . 2.3 110.252 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.47 -47.24 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.845 -1.07 . . . . 0.61 110.697 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.616 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 5.8 mp -68.06 -34.89 77.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.615 . . . . 0.83 111.191 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.77 -14.14 62.27 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.88 0.372 . . . . 1.83 111.205 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -82.17 -7.96 59.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.201 -0.454 . . . . 1.5 111.076 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 1.7 110.894 179.472 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.199 0.523 . . . . 1.09 109.65 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 23.3 t -76.19 162.64 27.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.785 -0.643 . . . . 1.32 110.182 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.01 -51.72 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.771 0.319 . . . . 2.1 111.254 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.36 -29.65 70.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.57 111.476 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HG21 ' A' ' 68' ' ' ILE . 52.0 mt-10 -67.46 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 1.54 110.103 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 26' ' ' ILE . 43.8 mt -65.5 -48.18 83.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.282 -0.872 . . . . 0.44 110.001 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -30.12 69.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.448 -0.796 . . . . 0.2 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -52.77 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.31 111.058 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 79' ' ' LEU . 33.4 mt -67.66 -34.23 76.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.998 -0.281 . . . . 0.46 110.926 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.6 mt -61.5 -53.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.979 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.3 -32.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 121.136 -0.226 . . . . 0.24 110.949 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.42 -39.55 94.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.59 110.441 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 33' ' ' ILE . 51.2 t80 -60.93 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.558 -0.292 . . . . 1.25 110.404 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -38.44 86.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.866 0.365 . . . . 1.22 110.375 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.93 -40.56 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 1.15 110.085 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 m -64.22 -34.12 77.37 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.98 0.419 . . . . 0.99 110.702 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 60.7 mt -65.72 -50.98 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.874 -0.603 . . . . 0.43 110.939 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.06 -21.19 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.616 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.83 -59.21 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 2.22 110.874 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' A' ' 38' ' ' GLU . 21.6 pttm -96.19 12.31 31.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.551 . . . . 2.08 111.522 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.5 64.66 1.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.937 -1.029 . . . . 2.6 111.702 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 27.7 mm-40 -93.97 -14.19 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.514 0.673 . . . . 2.12 109.903 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.1 tt -113.35 167.36 6.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.22 -0.9 . . . . 0.51 109.835 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 p -69.77 163.13 26.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.769 -0.196 . . . . 1.82 110.495 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.25 -46.45 88.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 2.19 110.442 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.16 -44.47 92.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 2.3 110.527 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -37.31 94.44 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.872 -0.68 . . . . 0.39 112.197 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.12 96.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.642 0.258 . . . . 0.38 110.776 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.3 -37.21 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.84 110.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.3 -40.09 93.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.955 -0.566 . . . . 0.98 110.031 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.36 -27.11 68.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.361 -0.381 . . . . 0.41 111.182 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.68 -53.53 45.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.48 110.826 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.52 -34.13 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.893 0.378 . . . . 0.36 110.238 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.662 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -60.33 -44.78 95.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.37 110.547 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.0 ttm -65.94 -35.98 82.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.65 111.345 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.38 -42.41 98.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.283 -0.636 . . . . 1.99 109.283 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.5 -38.47 77.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.249 -0.887 . . . . 1.05 111.265 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 50' ' ' ALA . 54.8 mt -59.1 -50.0 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.25 0.548 . . . . 0.34 109.756 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 14.2 m -63.34 -41.63 98.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.79 . . . . 0.8 110.669 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.36 -43.19 91.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.505 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.5 86.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.42 111.663 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.99 -20.31 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 1.24 111.454 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.88 44.57 7.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.43 113.128 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 9.1 p90 -139.36 153.25 47.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.604 -0.351 . . . . 1.22 110.272 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.52 147.88 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 2.33 110.648 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.7 mtt180 -65.48 -17.39 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.533 -0.758 . . . . 3.67 110.628 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 -12.54 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.333 -0.394 . . . . 3.2 110.94 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -83.51 -16.81 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.67 111.253 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.5 p -56.28 -39.3 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.328 -0.396 . . . . 0.54 111.721 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m -61.38 -44.57 96.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 1.63 111.026 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.62 90.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.827 -0.701 . . . . 0.76 112.079 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.9 mt -61.94 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.71 110.759 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.34 -6.79 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 1.14 111.628 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.37 -42.71 2.91 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.516 -0.85 . . . . 1.25 111.685 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.59 -51.22 9.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.881 0.372 . . . . 3.16 111.661 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.11 164.71 25.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.734 0.778 . . . . 2.02 112.485 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.93 -6.76 35.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.468 -1.242 . . . . 2.64 111.574 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 1.7 110.421 -179.128 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.3 m170 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.921 0.391 . . . . 1.96 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.3 tp -52.04 -43.52 63.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.433 -0.803 . . . . 0.6 111.265 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.69 91.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.63 111.135 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.7 -40.84 89.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.59 . . . . 2.3 110.21 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.72 -46.12 97.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.187 -0.915 . . . . 0.61 111.535 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' B' ' 83' ' ' LEU . 10.6 mp -69.89 -40.03 75.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.83 111.096 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.04 -21.98 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 1.83 110.522 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -71.22 -22.44 62.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 1.5 110.475 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 1.71 109.834 177.502 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.134 0.492 . . . . 1.09 109.708 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.416 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 23.0 t -76.14 162.43 28.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.265 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.97 -51.69 68.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 2.1 111.221 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.34 -29.65 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 1.58 111.617 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HA ' HG21 ' B' ' 68' ' ' ILE . 52.5 mt-10 -67.31 -44.17 79.85 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.608 0.718 . . . . 1.54 110.115 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.512 ' O ' HG13 ' B' ' 26' ' ' ILE . 44.4 mt -65.07 -48.37 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.111 -0.95 . . . . 0.44 109.878 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.17 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.56 -0.745 . . . . 0.2 111.184 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.02 62.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.945 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' B' ' 79' ' ' LEU . 34.0 mt -67.2 -34.32 77.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.738 -0.385 . . . . 0.46 111.109 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 22' ' ' ILE . 61.3 mt -61.47 -53.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.27 111.01 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.24 -32.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.615 0.245 . . . . 0.23 111.062 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -64.3 -39.78 94.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.479 -0.328 . . . . 1.58 110.382 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' B' ' 33' ' ' ILE . 51.0 t80 -60.77 -48.7 80.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.25 110.484 177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.16 -38.37 86.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 1.22 110.411 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -40.69 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.539 . . . . 1.15 110.102 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.8 m -63.95 -34.59 78.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.108 0.48 . . . . 0.99 110.632 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 60.4 mt -65.39 -50.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.44 110.911 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.31 -20.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.695 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.23 -59.24 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.389 . . . . 2.22 110.808 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' B' ' 38' ' ' GLU . 21.5 pttm -96.26 12.43 31.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.244 0.545 . . . . 2.08 111.518 -177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.62 64.62 1.28 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.915 -1.038 . . . . 2.6 111.689 174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 29.0 mm-40 -94.04 -14.03 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.414 0.626 . . . . 2.11 109.901 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.1 tt -113.42 167.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.315 -0.857 . . . . 0.52 109.844 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 30.4 p -69.93 163.22 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.523 -0.177 . . . . 1.82 110.523 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.25 -46.71 87.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.829 0.347 . . . . 2.19 110.405 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.98 -44.65 91.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.784 -0.644 . . . . 2.29 110.47 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.4 94.63 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.39 112.167 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.38 110.84 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.28 -37.22 86.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 1.84 110.648 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.22 -40.1 93.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.995 -0.548 . . . . 0.98 109.981 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.52 -26.96 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.41 111.2 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.66 -53.68 43.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 0.48 110.853 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.41 -34.2 67.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.798 -0.361 . . . . 0.36 110.223 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.66 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -60.29 -44.83 95.02 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.37 110.474 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 14.1 ttm -65.83 -36.14 82.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.392 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.7 m -69.33 -38.64 78.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.119 -0.946 . . . . 1.05 111.256 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.2 mt -58.98 -50.01 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.243 0.544 . . . . 0.33 109.778 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.5 m -63.38 -41.68 98.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.441 -0.799 . . . . 0.8 110.614 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.14 -43.69 91.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.655 -0.702 . . . . 2.66 111.349 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.605 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.88 -20.06 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.427 -0.351 . . . . 1.24 111.366 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.93 7.67 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.166 -0.54 . . . . 0.42 113.043 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 9.4 p90 -139.67 153.33 47.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.978 0.389 . . . . 1.23 110.171 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.53 148.04 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 2.33 110.759 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.5 ' O ' HG12 ' B' ' 65' ' ' VAL . 79.0 mtt180 -66.02 -16.54 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.704 . . . . 3.67 110.679 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.17 -12.59 46.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.89 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.467 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -83.51 -16.75 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.339 -0.392 . . . . 0.66 111.279 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.5 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.4 p -56.27 -39.54 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.287 -0.415 . . . . 0.53 111.636 -176.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.3 m -61.21 -44.63 96.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 1.63 111.137 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.47 -39.75 91.22 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.991 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 64' ' ' ALA . 74.7 mt -61.88 -45.47 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.7 110.761 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.6 -6.71 42.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.311 -0.404 . . . . 1.13 111.648 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.36 -42.95 2.85 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.645 -0.788 . . . . 1.24 111.658 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.44 -51.21 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.69 0.281 . . . . 3.15 111.634 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 55.4 m -71.17 164.77 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.584 0.707 . . . . 2.02 112.572 -170.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.96 -6.82 35.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.557 -1.201 . . . . 2.64 111.452 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.907 -0.588 . . . . 1.7 110.402 -179.208 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.003 0.43 . . . . 1.95 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.469 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.529 -0.76 . . . . 0.6 111.289 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.8 91.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.63 111.183 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.47 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 2.3 110.307 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.75 -46.04 97.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.128 -0.942 . . . . 0.61 111.657 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 83' ' ' LEU . 10.6 mp -69.89 -40.06 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.812 0.339 . . . . 0.83 111.119 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -67.94 -21.96 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.06 0.457 . . . . 1.83 110.476 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -71.27 -22.46 61.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 1.5 110.436 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 121.105 0.479 . . . . 1.7 109.872 177.477 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.347 0.594 . . . . 1.09 110.608 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 t -71.4 142.47 50.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.422 -0.808 . . . . 1.32 109.382 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -56.71 -30.34 63.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.441 -0.8 . . . . 2.1 111.956 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.94 -38.94 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 1.57 110.653 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -69.5 -46.74 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.284 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' ILE . 54.0 mt -60.18 -51.38 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 0.44 110.544 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.42 84.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.2 110.882 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.97 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.31 110.938 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 87.8 mt -66.36 -38.49 87.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.46 110.694 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 22' ' ' ILE . 87.9 mt -63.72 -52.14 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.27 111.227 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.17 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.815 0.34 . . . . 0.24 110.721 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.41 -37.87 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.59 110.168 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' HG13 ' A' ' 33' ' ' ILE . 38.8 t80 -63.91 -49.88 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 1.25 110.492 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.77 -37.42 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.451 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -35.04 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.15 110.127 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -68.68 -33.17 73.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.384 . . . . 0.99 110.288 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 29' ' ' TYR . 51.2 mt -63.1 -45.94 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.43 110.525 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.73 -21.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.432 . . . . 0.47 110.973 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.47 -49.58 73.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.034 0.445 . . . . 2.22 110.113 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 10.1 ptpp? -86.93 -1.94 58.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.347 0.594 . . . . 2.08 110.454 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.59 52.85 13.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.501 -1.227 . . . . 2.6 111.269 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 3.6 tm-20 -84.82 -28.0 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.547 -0.909 . . . . 2.12 108.547 -178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.0 tt -90.9 156.16 3.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.707 -1.133 . . . . 0.51 110.176 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -75.91 166.08 24.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 1.82 110.818 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -52.11 -50.78 60.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.276 0.36 . . . . 2.19 111.839 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.28 -44.77 80.12 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.206 -0.452 . . . . 2.3 110.937 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -68.62 -35.16 80.17 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.68 -0.771 . . . . 0.39 112.181 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.93 81.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.627 0.251 . . . . 0.38 110.922 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.26 -35.22 80.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.157 0.503 . . . . 1.84 110.529 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -65.92 -38.0 87.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.643 -0.708 . . . . 0.98 110.455 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 -26.16 65.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.41 111.178 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -66.33 -55.35 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.499 -0.319 . . . . 0.48 110.746 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.31 -37.99 81.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 110.252 -0.277 . . . . 0.36 110.252 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -58.57 -46.28 87.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.408 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttm -62.3 -41.97 98.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.65 111.473 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.03 -44.08 94.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.084 -0.507 . . . . 1.99 109.753 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 84.4 m -66.79 -38.56 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.507 -0.77 . . . . 1.05 111.515 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 50' ' ' ALA . 61.9 mt -59.95 -51.13 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.265 0.555 . . . . 0.34 109.719 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -63.71 -43.63 95.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.352 -0.84 . . . . 0.8 110.735 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.45 -35.38 79.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.643 . . . . 2.66 110.605 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -70.36 -48.2 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.42 111.788 -176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.64 -22.9 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 1.24 111.386 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.15 47.66 2.8 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.784 -0.722 . . . . 0.43 112.934 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -143.92 167.26 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.868 -0.419 . . . . 1.22 109.868 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.77 150.32 23.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.009 0.433 . . . . 2.33 110.444 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.28 -19.94 63.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 3.67 110.947 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.17 -7.33 59.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 3.2 110.462 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.0 8.99 24.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.112 -0.494 . . . . 0.67 111.166 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.33 -35.33 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.54 110.331 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 p -68.81 -28.42 66.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 1.63 110.497 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.77 58.14 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.76 111.597 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.84 -49.6 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.737 0.303 . . . . 0.71 110.211 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 83.8 mt -74.03 4.69 5.11 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.178 -0.465 . . . . 1.14 111.702 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.53 -19.61 19.9 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.586 -0.816 . . . . 1.25 111.699 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.97 -14.74 12.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.849 0.357 . . . . 3.16 110.884 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 69' ' ' LEU . 59.1 p -72.26 161.78 30.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 2.02 111.071 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.48 23.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.175 0.512 . . . . 2.64 110.497 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.549 -0.75 . . . . 1.7 109.077 177.748 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.0 m170 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.552 -0.166 . . . . 1.96 110.552 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 46.5 tp -52.43 -52.68 52.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.6 111.396 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.614 . . . . 0.63 111.921 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.54 -36.13 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 2.3 109.963 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 74.1 mt -60.18 -51.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 0.61 110.228 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.58 -31.53 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 0.83 111.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -64.71 -28.78 69.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 1.83 110.848 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t -83.67 -9.84 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.076 -0.511 . . . . 1.5 110.597 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.71 110.844 -178.047 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.346 0.593 . . . . 1.09 110.589 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.4 t -71.4 142.35 50.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.577 -0.738 . . . . 1.33 109.362 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.68 -30.3 63.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.459 -0.791 . . . . 2.1 111.863 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 1.58 110.634 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.45 -46.68 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 1.54 110.397 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.467 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.2 mt -60.27 -51.3 74.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.141 -0.936 . . . . 0.44 110.552 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.36 84.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.2 110.99 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.23 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 0.31 110.951 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 87.7 mt -66.42 -38.55 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.46 110.7 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 22' ' ' ILE . 87.7 mt -63.69 -52.16 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.27 111.22 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.28 -33.39 63.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.932 -0.307 . . . . 0.23 110.681 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.42 -38.19 84.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 1.58 110.098 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.554 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.1 t80 -63.62 -49.97 71.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.385 . . . . 1.25 110.515 177.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.71 -37.51 84.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 1.22 110.471 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.15 110.172 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -32.96 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.99 110.43 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 29' ' ' TYR . 50.8 mt -63.32 -45.83 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.381 -0.372 . . . . 0.44 110.507 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.74 -22.03 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.47 110.965 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -49.61 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.22 110.187 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.9 -1.9 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 2.08 110.442 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.64 52.55 13.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.476 -1.238 . . . . 2.6 111.222 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -84.43 -28.22 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.492 -0.929 . . . . 2.11 108.492 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.9 tt -90.89 155.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.733 -1.121 . . . . 0.52 110.265 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -75.45 166.11 24.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.506 -0.316 . . . . 1.82 110.89 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.29 -50.71 61.62 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.319 0.387 . . . . 2.19 111.867 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -56.18 -44.96 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 2.29 110.894 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -68.58 -35.19 80.46 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.716 -0.754 . . . . 0.39 112.153 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.01 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.38 110.978 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.18 -35.29 80.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.116 0.484 . . . . 1.84 110.415 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -66.02 -37.88 87.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.754 -0.657 . . . . 0.98 110.465 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.77 -26.1 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.41 111.112 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.44 -55.33 16.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.32 . . . . 0.48 110.805 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.13 -38.05 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.36 110.227 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.677 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -58.62 -46.11 87.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.37 110.491 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.4 ttm -62.47 -41.89 99.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.65 111.509 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.02 -44.17 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.99 109.731 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 79.0 m -66.63 -38.68 87.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.595 -0.73 . . . . 1.05 111.513 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.677 HG13 ' O ' ' B' ' 50' ' ' ALA . 61.9 mt -59.86 -51.19 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.345 0.593 . . . . 0.33 109.64 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.6 m -63.59 -43.59 96.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.846 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.59 -35.15 78.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 2.66 110.571 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -70.46 -48.22 56.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.41 111.767 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -79.89 -22.6 42.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 1.24 111.375 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.18 47.29 2.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.785 -0.721 . . . . 0.42 112.87 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -143.74 167.1 23.07 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.898 -0.408 . . . . 1.23 109.898 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -102.67 150.29 23.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 2.33 110.389 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -69.46 -19.7 63.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 3.67 110.947 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.14 -7.7 59.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.001 -0.545 . . . . 3.19 110.471 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.69 9.09 25.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.66 111.167 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.41 -35.33 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.53 110.368 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -68.73 -28.57 66.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.976 0.417 . . . . 1.63 110.421 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.09 60.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.555 -0.618 . . . . 0.74 111.555 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.76 -49.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.132 -0.322 . . . . 0.7 110.132 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.423 ' HA ' ' OG ' ' B' ' 72' ' ' SER . 83.8 mt -74.2 5.03 4.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 1.13 111.72 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.67 19.15 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.613 -0.803 . . . . 1.24 111.519 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.84 -14.79 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 3.15 110.873 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' B' ' 69' ' ' LEU . 60.0 p -72.18 161.77 30.41 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.124 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.34 23.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.202 0.525 . . . . 2.64 110.513 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.099 177.762 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m170 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.554 -0.165 . . . . 1.95 110.554 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 46.6 tp -52.42 -52.6 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.6 111.464 -175.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.07 87.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.63 111.866 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.54 -36.2 82.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.235 0.54 . . . . 2.3 109.852 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 74.5 mt -60.19 -51.49 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.468 -0.787 . . . . 0.61 110.241 174.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.83 111.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.61 -29.02 70.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.069 0.461 . . . . 1.83 110.852 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -84.03 -8.6 59.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.101 -0.499 . . . . 1.5 110.618 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 1.7 110.882 -178.517 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.701 0.286 . . . . 1.09 110.357 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.11 161.03 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.467 -0.333 . . . . 1.32 110.695 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -57.54 -49.04 77.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.809 0.3 . . . . 2.1 111.809 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.6 -31.98 70.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.454 -0.339 . . . . 1.57 111.148 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.97 -43.25 99.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.288 0.566 . . . . 1.54 110.182 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' ILE . 67.8 mt -68.69 -48.07 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.364 -0.835 . . . . 0.44 110.57 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.48 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.2 111.103 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.52 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.31 110.839 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 79.6 mt -69.48 -35.89 76.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.982 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ILE . 78.3 mt -63.39 -50.57 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.937 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.01 -31.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.967 -0.293 . . . . 0.24 110.572 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.51 -44.94 95.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.365 . . . . 1.59 110.574 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 38.4 t80 -60.23 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 1.25 110.707 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.86 -37.43 87.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 1.22 110.796 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -60.42 -45.77 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 1.15 110.135 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.9 t -62.32 -40.2 95.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.229 -0.441 . . . . 0.99 110.288 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 29' ' ' TYR . 50.9 mt -58.02 -50.91 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.43 111.362 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.89 -19.71 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 0.47 111.219 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.37 -56.72 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.205 -0.452 . . . . 2.22 110.892 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' SER . 21.4 ptmt -92.67 3.1 56.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 2.08 111.33 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.51 77.82 0.31 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.314 -0.857 . . . . 2.6 111.314 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 25.4 mm-40 -109.24 1.76 20.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.503 -0.771 . . . . 2.12 109.909 176.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.539 HD11 ' HB1' ' B' ' 57' ' ' ALA . 13.8 tt -134.15 168.71 23.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.32 -0.854 . . . . 0.51 109.913 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 p -72.39 165.07 25.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.974 0.171 . . . . 1.82 111.192 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -56.72 -47.4 80.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.995 0.426 . . . . 2.19 110.474 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.47 -41.46 93.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.3 111.026 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.24 -36.52 93.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.39 112.211 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.99 74.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 0.38 110.498 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.41 -45.34 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.466 -0.788 . . . . 1.84 111.165 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 p -67.86 -34.34 76.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.98 110.729 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.71 -29.19 69.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.41 111.153 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.98 -57.28 9.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.699 -0.228 . . . . 0.48 111.099 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.53 -33.82 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.123 0.487 . . . . 0.36 110.424 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.37 110.663 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.8 ttm -69.14 -36.26 77.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.65 110.868 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.96 -41.36 87.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.076 -0.713 . . . . 1.99 109.076 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.07 -52.62 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 1.05 110.977 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 53.3 mt -52.45 -52.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.16 0.505 . . . . 0.34 110.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -61.13 -49.29 77.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.8 111.299 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.21 -34.1 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 2.66 111.287 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -64.12 -41.12 97.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.317 -0.401 . . . . 0.42 111.257 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -85.64 -26.61 25.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.334 -0.394 . . . . 1.24 111.106 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.29 38.07 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.788 -0.72 . . . . 0.43 113.159 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 55' ' ' SER . 34.6 p90 -139.95 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.726 -0.472 . . . . 1.22 109.726 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.7 148.75 43.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.948 0.404 . . . . 2.33 110.476 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.5 ttt180 -60.24 -21.24 61.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.433 -0.803 . . . . 3.67 112.1 -175.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.4 -18.72 58.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.818 0.342 . . . . 3.2 110.674 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -98.23 5.79 48.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.444 -0.344 . . . . 0.67 111.627 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 62' ' ' ARG . 9.6 p -63.71 -35.79 74.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.601 -0.272 . . . . 0.54 111.624 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t -66.68 -40.45 88.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 1.63 110.125 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.73 -40.11 98.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.094 -0.574 . . . . 0.76 111.692 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 64' ' ' ALA . 67.7 mt -64.89 -53.82 37.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.331 -0.248 . . . . 0.71 110.331 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.73 -34.18 76.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.384 -0.371 . . . . 1.14 111.674 -177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.07 84.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.918 -0.658 . . . . 1.25 112.539 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.64 -29.25 20.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.268 0.556 . . . . 3.16 110.354 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -78.82 164.02 24.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.762 -0.653 . . . . 2.02 110.662 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -87.27 38.0 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.132 -0.485 . . . . 2.64 110.679 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.7 110.23 -175.623 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 . . . . . 0 C--O 1.233 0.234 0 N-CA-C 109.068 -0.715 . . . . 1.96 109.068 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 83' ' ' LEU . 46.8 tp -53.08 -46.45 68.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.198 0.523 . . . . 0.6 110.524 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.86 82.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.63 111.936 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -62.72 -41.05 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.545 0.688 . . . . 2.3 109.599 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.82 -48.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.889 -1.051 . . . . 0.61 110.944 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.6 mp -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.514 . . . . 0.83 111.008 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.71 -25.79 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.294 0.569 . . . . 1.83 110.333 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -88.4 -10.18 50.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 1.5 110.703 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 1.71 111.312 -176.074 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.695 0.283 . . . . 1.09 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.25 161.06 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 1.33 110.689 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -57.56 -49.12 77.41 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.749 0.277 . . . . 2.1 111.749 -173.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.58 111.095 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.92 -43.27 99.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.295 0.569 . . . . 1.54 110.197 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 26' ' ' ILE . 67.0 mt -68.54 -48.28 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.42 -0.809 . . . . 0.44 110.527 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.44 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.2 111.14 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.63 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.31 110.87 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 79.0 mt -69.49 -35.82 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.46 110.927 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 22' ' ' ILE . 78.6 mt -63.48 -50.51 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.925 -0.579 . . . . 0.27 110.938 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.06 -31.13 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.853 -0.339 . . . . 0.23 110.575 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.47 -44.92 95.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.954 0.407 . . . . 1.58 110.572 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.503 ' CZ ' HD11 ' B' ' 33' ' ' ILE . 38.4 t80 -60.26 -51.05 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 1.25 110.691 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -63.73 -37.48 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.697 0.284 . . . . 1.22 110.879 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.3 t -60.44 -45.57 93.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 1.15 110.228 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 23.6 t -62.38 -40.26 95.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.99 110.37 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.503 HD11 ' CZ ' ' B' ' 29' ' ' TYR . 51.0 mt -58.08 -50.83 76.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.348 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.85 -19.86 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.813 0.34 . . . . 0.47 111.16 -176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.49 -56.35 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.989 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 32' ' ' SER . 21.4 ptmt -92.74 2.91 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 2.08 111.429 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.56 77.8 0.31 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.267 -0.878 . . . . 2.6 111.372 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 25.6 mm-40 -109.15 1.56 20.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.11 109.885 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.546 HD11 ' HB1' ' A' ' 57' ' ' ALA . 13.7 tt -133.99 168.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.215 -0.902 . . . . 0.52 109.925 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 55.1 p -72.3 165.13 25.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.962 0.164 . . . . 1.82 111.035 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.69 -47.49 79.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 2.19 110.496 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.45 -41.5 93.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 2.29 110.96 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.44 93.43 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.801 -0.714 . . . . 0.39 112.188 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.297 0.57 . . . . 0.38 110.518 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.2 -45.42 73.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 1.84 111.228 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -67.95 -34.24 76.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.98 110.645 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 47' ' ' LEU . 39.2 mt -61.84 -29.3 70.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.41 111.208 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.77 -57.39 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.596 -0.275 . . . . 0.48 111.221 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.54 -33.48 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.034 0.445 . . . . 0.36 110.494 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.63 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.72 -38.81 92.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.37 110.591 176.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 16.7 ttm -69.25 -36.14 76.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.865 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.86 -41.25 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.207 -0.664 . . . . 1.99 109.207 173.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 86.2 m -65.34 -52.55 53.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.104 -0.953 . . . . 1.05 111.011 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.63 HG13 ' O ' ' B' ' 50' ' ' ALA . 53.9 mt -52.5 -52.81 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.071 0.463 . . . . 0.33 110.605 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -61.14 -49.51 76.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.8 111.129 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.0 -34.11 74.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 2.66 111.285 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -64.33 -40.75 96.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.41 111.204 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.82 -26.66 25.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 1.24 111.13 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.16 38.22 3.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.175 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.447 ' O ' ' HB3' ' B' ' 55' ' ' SER . 34.8 p90 -140.08 173.86 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.71 148.82 43.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.01 0.433 . . . . 2.33 110.403 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 78.6 ttt180 -60.16 -21.37 61.57 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.278 -0.874 . . . . 3.67 112.028 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.44 -18.55 58.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.824 0.345 . . . . 3.19 110.681 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.436 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -98.44 5.85 47.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.66 111.588 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 9.6 p -63.63 -35.92 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.657 0.243 . . . . 0.53 111.657 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -40.32 88.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 1.63 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.72 -39.95 98.02 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.003 -0.618 . . . . 0.74 111.763 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 64' ' ' ALA . 67.5 mt -65.1 -53.63 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.355 -0.239 . . . . 0.7 110.355 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.689 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.02 -33.08 84.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.949 -0.643 . . . . 1.24 112.53 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.76 -29.35 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.099 0.476 . . . . 3.15 110.276 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -78.61 164.02 25.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.791 -0.641 . . . . 2.02 110.641 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -87.22 37.96 0.79 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 2.64 110.718 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.605 . . . . 1.7 110.286 -175.624 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.4 m80 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.157 -0.682 . . . . 1.95 109.157 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.428 ' O ' HD13 ' B' ' 83' ' ' LEU . 46.6 tp -53.06 -46.57 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.543 . . . . 0.6 110.474 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.8 82.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.629 -0.714 . . . . 0.63 111.868 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.77 -40.86 98.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.526 0.679 . . . . 2.3 109.727 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.93 -48.51 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.864 -1.062 . . . . 0.61 110.911 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.428 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.6 mp -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.83 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.83 -25.49 68.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.236 0.541 . . . . 1.83 110.323 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -89.13 -9.62 50.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 1.5 110.625 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.277 -176.26 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.317 -0.623 . . . . 1.09 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -72.06 149.54 44.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.635 -0.711 . . . . 1.32 110.61 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.71 -45.64 49.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.227 0.329 . . . . 2.1 111.532 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.5 -38.58 91.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 1.57 111.629 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.352 0.596 . . . . 1.54 109.96 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.5 mt -64.2 -50.26 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.063 -0.971 . . . . 0.44 110.521 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.55 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.752 -0.658 . . . . 0.2 111.5 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.62 88.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.974 -0.557 . . . . 0.31 111.124 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.03 -28.3 54.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.784 0.326 . . . . 0.46 110.852 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.7 mt -64.86 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.007 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -27.0 37.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.24 110.649 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.82 -44.44 94.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.59 110.573 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.0 t80 -62.24 -49.86 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.25 110.807 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.57 -41.36 85.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 1.22 110.983 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -68.22 -25.73 65.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 1.15 110.44 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 -30.19 44.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.429 -0.35 . . . . 0.99 110.848 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 29' ' ' TYR . 15.0 mt -68.48 -47.47 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.43 110.255 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.95 -25.11 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.47 111.004 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.89 -50.42 73.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 2.22 110.925 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -99.22 5.37 46.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 2.08 111.566 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 56.45 58.85 3.94 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.042 -0.981 . . . . 2.6 111.017 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -100.11 0.13 40.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.927 0.87 . . . . 2.12 109.435 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -110.37 155.72 11.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.384 -1.28 . . . . 0.51 109.672 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 p -64.42 146.64 54.18 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.477 -0.329 . . . . 1.82 110.637 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.68 -47.95 63.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.809 0.338 . . . . 2.19 111.27 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.82 -49.35 78.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 2.3 110.791 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.88 -34.08 85.93 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.39 112.736 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.47 90.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.38 110.815 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.84 -35.48 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 1.84 110.164 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 m -62.39 -36.32 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.98 110.481 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' MET . 22.9 mt -73.85 -16.6 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.954 -0.298 . . . . 0.41 111.221 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.71 -47.3 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 0.48 110.652 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.62 -34.81 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.36 109.706 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.3 -34.91 77.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.37 110.862 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 28.0 tpp -56.39 -45.28 80.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.948 -0.569 . . . . 0.65 110.729 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.71 -39.74 94.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 1.99 110.234 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.39 -41.94 96.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 1.05 111.364 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 50' ' ' ALA . 64.4 mt -62.38 -50.21 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.34 109.83 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 19.8 m -59.28 -42.58 91.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.8 110.785 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.25 -39.75 94.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 2.66 111.216 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.42 112.029 -177.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 86.0 m-85 -102.96 -15.76 16.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 1.24 111.619 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 34.44 9.25 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.863 -0.684 . . . . 0.43 113.538 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.6 p90 -132.06 172.7 12.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.017 0.409 . . . . 1.22 110.17 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -108.65 154.14 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.666 -0.494 . . . . 2.33 109.666 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.9 ttt180 -58.56 -43.38 89.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.107 -0.237 . . . . 3.67 110.915 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.74 9.26 1.52 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.936 0.347 . . . . 3.2 111.936 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.42 -2.44 14.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.66 -0.245 . . . . 0.67 111.265 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.2 p -64.04 -33.0 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.794 0.331 . . . . 0.54 110.689 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 t -58.11 -45.39 87.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 1.63 110.25 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.67 95.53 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.041 -0.599 . . . . 0.76 112.163 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.84 -48.55 87.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.71 110.599 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.09 -41.54 98.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 1.14 111.205 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.5 77.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.644 -0.789 . . . . 1.25 112.408 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.86 21.54 17.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.757 0.313 . . . . 3.16 111.503 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.6 p -99.8 158.67 15.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.846 0.355 . . . . 2.02 110.313 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -92.64 20.73 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.739 0.781 . . . . 2.64 109.439 172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' B' ' 83' ' ' LEU . 6.0 m-30 . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 114.361 -1.29 . . . . 1.7 109.658 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.353 0.597 . . . . 1.96 110.121 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 26' ' ' ILE . 36.0 tp -59.76 -42.4 93.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.714 -1.13 . . . . 0.6 112.218 -174.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.63 111.698 -175.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.85 -37.01 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.444 0.64 . . . . 2.3 109.952 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.21 -57.19 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.141 -0.936 . . . . 0.61 111.321 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.651 ' HB3' ' CE2' ' B' ' 74' ' ' PHE . 10.8 mp -61.4 -28.81 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.83 111.304 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -57.5 -47.51 81.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.83 110.442 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.0 t -84.53 -9.61 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 1.5 111.108 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.546 0 CA-C-O 121.102 0.477 . . . . 1.71 111.889 -175.5 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.374 0 N-CA-C 109.247 -0.649 . . . . 1.09 109.247 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -71.94 149.7 44.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.645 -0.707 . . . . 1.33 110.649 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.9 -45.64 51.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.172 0.295 . . . . 2.1 111.425 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.45 -38.51 91.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.58 111.651 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.04 -43.21 96.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.614 0.721 . . . . 1.54 109.937 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.9 mt -63.94 -50.29 78.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.964 -1.016 . . . . 0.44 110.473 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.46 70.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.472 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.87 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.547 . . . . 0.31 110.999 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.46 -28.48 56.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.712 -0.395 . . . . 0.46 111.066 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 62.2 mt -64.73 -51.53 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.27 110.983 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -26.95 36.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.808 0.337 . . . . 0.23 110.635 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.79 -44.38 93.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.57 . . . . 1.58 110.544 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.58 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.9 t80 -62.35 -49.76 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 1.25 110.852 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.55 -41.34 85.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.22 110.99 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -68.41 -25.56 65.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 1.15 110.496 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.71 -30.48 46.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.817 0.341 . . . . 0.99 110.782 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.58 HG13 ' O ' ' B' ' 29' ' ' TYR . 15.4 mt -68.4 -47.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.847 0.355 . . . . 0.44 110.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.09 -25.05 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.894 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.99 -50.5 73.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 2.22 110.876 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.23 5.67 46.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 2.08 111.63 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 56.15 58.93 3.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.098 -0.955 . . . . 2.6 111.044 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -100.43 0.41 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.831 0.824 . . . . 2.11 109.423 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.501 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.8 tt -110.59 155.5 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.409 -1.269 . . . . 0.52 109.734 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.4 p -64.2 146.56 54.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.439 -0.346 . . . . 1.82 110.694 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.74 -47.78 63.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.982 0.42 . . . . 2.19 111.336 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.03 -49.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.765 -0.652 . . . . 2.29 110.734 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.1 -33.93 86.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 0.39 112.763 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.76 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.38 110.76 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.78 -35.3 74.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.182 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.6 m -62.38 -36.36 82.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.98 110.504 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 51' ' ' MET . 23.5 mt -73.82 -16.69 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.002 -0.279 . . . . 0.41 111.211 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.55 -47.38 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.48 110.717 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.59 -34.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.476 . . . . 0.36 109.755 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.525 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.4 -34.87 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.682 -0.69 . . . . 0.37 110.9 176.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' B' ' 47' ' ' LEU . 28.0 tpp -56.43 -45.29 80.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.96 -0.564 . . . . 0.65 110.719 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.58 -39.88 94.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 1.99 110.287 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.3 -41.97 96.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 1.05 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.9 mt -62.24 -50.31 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.118 0.485 . . . . 0.33 109.84 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 19.9 m -59.32 -42.59 91.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.626 -0.716 . . . . 0.8 110.762 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.659 . . . . 2.66 111.174 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.44 -34.46 75.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.41 111.965 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 86.7 m-85 -102.96 -15.96 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.648 0.261 . . . . 1.24 111.472 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.86 34.64 8.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.937 -0.649 . . . . 0.42 113.388 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.2 p90 -132.29 172.68 12.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.08 0.44 . . . . 1.23 110.125 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -108.61 154.09 22.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.702 -0.481 . . . . 2.33 109.702 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.586 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.8 ttt180 -58.65 -43.24 89.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.583 0.23 . . . . 3.67 110.843 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -73.88 9.24 1.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.826 0.306 . . . . 3.19 111.826 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.66 -2.31 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.672 -0.24 . . . . 0.66 111.251 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.2 p -64.06 -33.01 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.706 0.289 . . . . 0.53 110.742 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 43.8 t -58.08 -45.38 87.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.63 110.247 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.22 -43.44 95.36 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.882 -0.599 . . . . 0.74 112.152 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -48.52 87.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-O 120.609 0.242 . . . . 0.7 110.493 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.02 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 1.13 111.22 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.01 -30.73 78.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.712 -0.756 . . . . 1.24 112.346 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.59 21.37 17.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.348 . . . . 3.15 111.562 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 91.0 p -99.67 158.66 15.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.835 0.35 . . . . 2.02 110.343 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -92.56 20.92 5.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.692 0.758 . . . . 2.64 109.51 172.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.651 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 m-30 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 114.424 -1.262 . . . . 1.7 109.666 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.312 0.577 . . . . 1.95 110.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 26' ' ' ILE . 35.6 tp -59.84 -42.35 93.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.811 -1.086 . . . . 0.6 112.218 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.3 95.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.399 -0.364 . . . . 0.63 111.644 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.77 -37.16 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 2.3 110.033 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.07 -57.09 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.969 -1.014 . . . . 0.61 111.331 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.655 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.8 mp -61.44 -28.92 69.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.83 111.273 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -57.49 -47.7 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 1.83 110.386 175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -84.79 -8.49 58.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 1.5 111.184 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 1.7 111.84 -175.655 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 121.065 0.46 . . . . 1.09 111.526 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -75.84 178.01 6.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.041 -0.527 . . . . 1.32 110.202 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.88 -46.02 78.4 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.769 0.285 . . . . 2.1 111.769 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.95 -36.04 81.32 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.765 0.317 . . . . 1.57 110.956 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.27 -42.64 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.211 0.529 . . . . 1.54 110.583 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 26' ' ' ILE . 83.3 mt -68.9 -46.0 79.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.54 -0.754 . . . . 0.44 110.504 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.51 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.2 110.998 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.51 80.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.31 110.774 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 28' ' ' ASN . 23.0 mt -70.42 -32.22 69.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.584 -0.28 . . . . 0.46 111.306 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 22' ' ' ILE . 75.0 mt -62.7 -50.95 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.472 -0.331 . . . . 0.27 110.876 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.47 -25.72 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.24 110.431 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t-20 -62.69 -36.24 82.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 1.59 110.717 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 33' ' ' ILE . 49.1 t80 -72.73 -46.77 51.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 1.25 110.836 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.9 -40.02 94.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.22 111.384 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 p -63.61 -32.33 73.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 1.15 110.895 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 m -66.62 -42.64 86.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.894 0.378 . . . . 0.99 110.436 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.523 HD11 ' CE2' ' A' ' 29' ' ' TYR . 54.9 mt -58.27 -49.78 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.821 -0.627 . . . . 0.43 111.149 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.14 -28.73 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.367 -0.379 . . . . 0.47 111.384 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.59 -48.41 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.636 0.255 . . . . 2.22 111.087 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -90.34 2.93 55.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 2.08 111.319 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp 57.19 54.94 6.32 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.483 -0.78 . . . . 2.6 110.588 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.83 -19.28 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.854 0.835 . . . . 2.12 108.968 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.0 tt -111.79 160.48 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.676 -1.147 . . . . 0.51 109.977 -177.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -78.39 170.11 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.697 -0.229 . . . . 1.82 111.245 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.79 -53.03 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.66 0.615 . . . . 2.19 112.66 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.86 -44.07 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 2.3 110.79 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.73 97.83 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.755 -0.657 . . . . 0.39 112.526 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.46 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.38 110.634 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.12 -37.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 1.84 110.538 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 49' ' ' VAL . 12.4 t -61.97 -45.11 95.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.648 -0.706 . . . . 0.98 110.034 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -22.08 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.309 . . . . 0.41 111.205 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.69 -43.61 65.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.692 -0.231 . . . . 0.48 111.005 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 46' ' ' SER . 11.0 p -70.48 -31.13 45.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.448 -0.575 . . . . 0.36 109.448 177.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' B' ' 53' ' ' CYS . . . -66.69 -34.73 78.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.37 110.431 174.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.418 ' CA ' ' HE3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -60.17 -53.46 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.65 109.886 179.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.51 -38.94 91.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 1.99 110.51 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' B' ' 50' ' ' ALA . 10.7 t -55.3 -57.12 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.68 -0.691 . . . . 1.05 111.181 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.83 -37.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.34 110.534 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.8 110.622 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.88 -47.6 71.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 2.66 111.0 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.42 112.229 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -93.93 -19.29 21.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.036 0.384 . . . . 1.24 112.036 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 47.96 4.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.783 -0.722 . . . . 0.43 113.193 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -142.76 170.43 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.148 -0.316 . . . . 1.22 110.148 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -107.78 153.77 22.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.255 -0.43 . . . . 2.33 110.388 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 69.2 ttt180 -64.64 -20.31 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 3.67 111.179 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.06 -11.06 53.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.365 0.603 . . . . 3.2 110.472 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.56 48.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.67 111.325 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 6.0 p -60.38 -44.12 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.66 -0.245 . . . . 0.54 111.003 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.0 m -65.39 -32.63 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 1.63 110.687 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.03 -44.01 79.48 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.92 -0.657 . . . . 0.76 111.77 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.89 -39.75 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.71 110.556 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 97.5 mt -66.37 -38.5 87.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 1.14 110.508 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.49 -31.2 78.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 1.25 111.853 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.11 -39.32 75.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.205 0.526 . . . . 3.16 110.613 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 p -88.04 -166.98 1.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.863 -0.608 . . . . 2.02 111.393 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.98 -19.87 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.505 0.669 . . . . 2.64 109.88 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CG ' HD11 ' A' ' 25' ' ' LEU . 14.2 m-85 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.36 -0.837 . . . . 1.7 110.907 -170.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 108.391 -0.966 . . . . 1.96 108.391 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.4 tp -46.62 -54.68 9.01 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.802 0.667 . . . . 0.6 112.802 -170.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.85 78.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.389 -0.368 . . . . 0.63 111.966 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.93 -36.23 83.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.389 0.614 . . . . 2.3 110.154 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.74 -49.06 83.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.206 -0.906 . . . . 0.61 110.485 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.15 -36.07 83.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.83 111.052 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.49 -34.52 74.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.692 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.0 m -83.08 -9.91 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.844 -0.616 . . . . 1.5 111.098 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.446 . . . . 1.71 111.004 -177.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 121.113 0.482 . . . . 1.09 111.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.85 177.75 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.114 -0.494 . . . . 1.33 110.224 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.68 -45.94 77.69 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.862 0.319 . . . . 2.1 111.862 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -36.06 81.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.341 . . . . 1.58 111.034 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.02 -42.88 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 1.54 110.66 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 83.3 mt -68.84 -45.96 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.405 -0.816 . . . . 0.44 110.419 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.56 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.2 111.004 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.31 110.809 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.443 ' HA ' ' HB3' ' B' ' 28' ' ' ASN . 23.4 mt -70.19 -32.41 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.36 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 75.1 mt -62.53 -51.11 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.27 110.894 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.32 -25.82 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.23 110.501 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.443 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.8 t-20 -62.53 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.829 -0.623 . . . . 1.58 110.685 175.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' B' ' 33' ' ' ILE . 49.2 t80 -72.53 -46.87 52.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 1.25 110.809 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.426 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -63.63 -32.35 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 1.15 111.021 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -66.52 -42.47 87.25 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 0.99 110.688 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.1 mt -58.48 -49.77 81.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.117 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -73.98 -28.93 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.375 -0.375 . . . . 0.47 111.3 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.47 -48.27 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 2.22 111.103 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.48 2.96 55.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.836 0.351 . . . . 2.08 111.239 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp 57.19 54.79 6.47 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.558 -0.746 . . . . 2.6 110.65 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.72 -19.27 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.836 0.827 . . . . 2.11 108.98 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.506 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.0 tt -112.04 160.07 11.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.604 -1.18 . . . . 0.52 110.008 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -78.01 170.36 16.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.826 -0.17 . . . . 1.82 111.245 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -52.02 -52.96 47.34 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.545 0.572 . . . . 2.19 112.545 -174.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -60.71 -44.2 96.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 2.29 110.816 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.8 97.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.39 112.34 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.42 85.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.38 110.536 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.03 -37.64 88.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.919 -0.582 . . . . 1.84 110.569 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.509 ' O ' HG12 ' B' ' 49' ' ' VAL . 13.1 t -62.05 -45.19 94.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.619 -0.719 . . . . 0.98 110.01 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.69 -22.27 65.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 0.41 111.311 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.61 -43.55 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.607 -0.27 . . . . 0.48 111.093 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 46' ' ' SER . 10.9 p -70.4 -31.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.575 -0.528 . . . . 0.36 109.575 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -66.66 -34.67 78.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.814 -0.63 . . . . 0.37 110.474 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.427 ' CA ' ' HE3' ' B' ' 51' ' ' MET . 0.0 OUTLIER -60.34 -53.3 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.65 109.921 179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.52 -39.1 92.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.516 -0.765 . . . . 1.99 110.545 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 t -55.2 -57.18 12.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.747 -0.66 . . . . 1.05 111.225 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.74 -37.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.33 110.535 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.4 m -60.3 -49.22 78.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.8 110.592 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.85 -47.66 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 2.66 111.03 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.2 98.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.41 112.17 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -93.73 -19.32 21.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.021 0.378 . . . . 1.24 112.021 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.4 47.87 5.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.845 -0.693 . . . . 0.42 113.201 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.53 170.55 15.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.042 -0.355 . . . . 1.23 110.042 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.02 153.7 22.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 2.33 110.451 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.412 ' O ' HG12 ' B' ' 65' ' ' VAL . 69.1 ttt180 -64.64 -20.29 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 3.67 111.107 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -86.23 -11.03 53.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.369 0.604 . . . . 3.19 110.251 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.46 48.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.125 -0.489 . . . . 0.66 111.299 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -60.51 -44.21 95.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.662 -0.244 . . . . 0.53 110.945 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 59.9 m -65.19 -32.8 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 1.63 110.592 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.86 -44.07 80.94 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.905 -0.664 . . . . 0.74 111.826 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.9 -39.74 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.7 110.585 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 97.5 mt -66.38 -38.52 87.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.13 110.492 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.45 -31.19 78.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 1.24 111.887 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.01 -39.45 75.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 3.15 110.583 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -87.97 -167.14 1.78 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.02 111.377 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.81 -19.82 57.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.541 0.686 . . . . 2.64 109.91 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.362 -0.835 . . . . 1.7 110.942 -170.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 108.376 -0.972 . . . . 1.95 108.376 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 59.6 tp -46.72 -54.65 9.24 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.832 0.678 . . . . 0.6 112.832 -170.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.98 78.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 0.63 111.96 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.81 -36.23 83.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 2.3 110.106 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 58.2 mt -63.79 -49.09 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.61 110.426 175.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.14 -36.12 83.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.83 110.958 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.47 -34.44 74.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.127 0.489 . . . . 1.83 110.604 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.2 m -83.26 -9.5 59.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 1.5 111.113 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.106 0.479 . . . . 1.7 110.921 -177.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 120.788 0.327 . . . . 1.09 110.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -76.41 158.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.32 110.281 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.7 -54.01 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 2.1 111.164 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.15 -36.83 80.84 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.916 -0.584 . . . . 1.57 111.662 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.06 -42.73 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.039 0.447 . . . . 1.54 111.009 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.2 mt -66.28 -48.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.748 -0.66 . . . . 0.44 110.229 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.41 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.2 110.657 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.98 76.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.096 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 74' ' ' PHE . 88.1 mt -66.55 -39.67 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.17 -0.468 . . . . 0.46 110.988 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.8 mt -62.61 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.27 111.321 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.38 -35.61 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.948 -0.301 . . . . 0.24 110.97 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.72 -31.44 68.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 1.59 110.369 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' A' ' 33' ' ' ILE . 34.5 t80 -66.29 -52.1 50.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.05 -0.352 . . . . 1.25 110.05 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -59.49 -38.17 80.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.916 0.388 . . . . 1.22 110.569 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -63.61 -42.26 98.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.598 . . . . 1.15 110.782 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 p -75.94 -20.93 57.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.679 0.276 . . . . 0.99 111.124 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 29' ' ' TYR . 55.1 mt -65.83 -54.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.052 0.453 . . . . 0.43 110.138 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 m -71.88 -20.72 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.919 -0.582 . . . . 0.47 110.881 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.815 -0.63 . . . . 2.22 111.037 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.63 16.7 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 2.08 111.684 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 55.4 68.38 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.223 -0.899 . . . . 2.6 111.39 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -106.34 5.66 29.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.649 -0.705 . . . . 2.12 109.99 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -137.3 159.81 35.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.073 -0.967 . . . . 0.51 110.047 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -66.6 152.79 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.394 . . . . 1.82 110.842 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -51.43 -47.83 62.88 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.737 0.303 . . . . 2.19 111.404 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.36 -46.7 83.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 2.3 110.725 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -66.41 -35.14 89.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.39 112.521 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.33 90.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.206 0.527 . . . . 0.38 110.219 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.15 -42.61 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.818 . . . . 1.84 110.463 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -60.64 -38.72 85.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.98 110.82 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.11 -27.47 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.41 111.557 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -54.22 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.061 -0.256 . . . . 0.48 111.158 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.94 -35.9 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.967 0.413 . . . . 0.36 110.286 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.89 -42.94 99.67 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.37 110.736 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.9 ttm -63.7 -40.39 96.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.529 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.13 -38.19 87.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.629 -0.508 . . . . 1.99 109.629 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 68.1 m -72.06 -34.81 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.503 -0.771 . . . . 1.05 111.197 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 50' ' ' ALA . 56.3 mt -62.67 -48.46 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 109.426 -0.583 . . . . 0.34 109.426 174.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.678 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.2 m -61.97 -44.84 95.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.345 -0.843 . . . . 0.8 110.47 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.51 -37.19 82.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.579 -0.737 . . . . 2.66 110.816 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -66.75 -51.57 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 0.42 112.059 -176.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -85.51 -6.67 59.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.775 0.321 . . . . 1.24 111.671 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.14 42.38 19.47 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.996 -0.621 . . . . 0.43 112.898 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.4 p90 -139.29 -177.68 5.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.59 -0.522 . . . . 1.22 109.59 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.82 151.53 37.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.91 0.386 . . . . 2.33 110.84 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 65' ' ' VAL . 44.4 ttp180 -62.93 -23.17 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.549 -0.751 . . . . 3.67 110.347 177.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.44 -14.47 40.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 3.2 110.626 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.79 57.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.67 111.111 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.1 p -60.09 -33.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.54 110.841 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -64.94 -37.62 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.63 110.868 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -39.9 72.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.847 -0.692 . . . . 0.76 111.844 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.17 -52.17 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.71 110.527 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.73 -13.88 61.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 1.14 111.325 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.83 -30.68 72.51 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.696 -0.764 . . . . 1.25 111.857 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.93 -34.29 10.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 3.16 110.524 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -63.69 140.97 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.02 111.543 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.3 4.16 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 2.64 111.01 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.513 ' CG ' HD11 ' A' ' 25' ' ' LEU . 40.3 m-85 . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.889 -0.596 . . . . 1.7 109.882 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.772 -0.455 . . . . 1.96 109.772 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.1 tp -55.42 -49.26 72.88 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.9 0.333 . . . . 0.6 111.9 -175.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.73 76.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.06 0.393 . . . . 0.63 112.06 -174.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.77 -39.2 93.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.421 0.629 . . . . 2.3 109.949 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 92.2 mt -60.09 -49.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.062 -0.972 . . . . 0.61 110.521 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.04 -35.09 79.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.71 -0.677 . . . . 0.83 110.77 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.88 -36.33 74.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.179 0.514 . . . . 1.83 110.204 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -78.52 -10.22 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 1.5 111.054 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.055 0.455 . . . . 1.71 110.93 -178.538 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 120.751 0.31 . . . . 1.09 110.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -76.62 158.5 31.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.207 -0.452 . . . . 1.33 110.379 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.49 -54.04 37.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 2.1 111.123 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.17 -36.79 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 1.58 111.705 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 -42.72 84.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 1.54 111.01 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 63.1 mt -66.21 -48.15 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.635 . . . . 0.44 110.244 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.31 76.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.85 -0.613 . . . . 0.2 110.688 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.0 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.684 . . . . 0.31 111.031 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' B' ' 74' ' ' PHE . 88.6 mt -66.54 -39.64 88.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.126 -0.488 . . . . 0.46 111.068 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.3 mt -62.54 -50.99 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.27 111.374 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.32 -35.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.955 -0.298 . . . . 0.23 110.96 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -70.84 -31.41 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.751 0.31 . . . . 1.58 110.288 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' B' ' 33' ' ' ILE . 34.7 t80 -66.17 -52.26 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.016 -0.364 . . . . 1.25 110.016 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -59.37 -38.2 79.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.954 0.407 . . . . 1.22 110.642 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -63.49 -42.41 98.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 1.15 110.832 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.7 p -75.89 -20.85 57.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.667 0.27 . . . . 0.99 111.148 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.0 mt -65.67 -54.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.44 110.221 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.5 m -71.85 -20.69 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.47 110.935 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.41 -49.21 74.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.73 -0.668 . . . . 2.22 111.019 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.57 16.43 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 2.08 111.631 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 55.5 68.46 0.86 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.247 -0.888 . . . . 2.6 111.355 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.42 5.58 29.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 2.11 109.883 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.9 tt -137.32 159.59 35.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.161 -0.927 . . . . 0.52 109.987 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -66.35 152.86 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.371 . . . . 1.82 110.779 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.38 -47.91 62.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.746 0.308 . . . . 2.19 111.406 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.3 -46.89 82.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.895 -0.593 . . . . 2.29 110.685 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -66.26 -35.25 90.07 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.784 -0.643 . . . . 0.39 112.576 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.5 90.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.31 0.576 . . . . 0.38 110.257 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.05 -42.87 84.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.31 -0.859 . . . . 1.84 110.383 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.7 m -60.5 -38.67 85.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.835 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.1 -27.69 69.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.395 -0.366 . . . . 0.41 111.541 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -54.33 22.93 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.029 -0.268 . . . . 0.48 111.227 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.98 -35.9 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.922 0.391 . . . . 0.36 110.248 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.655 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.85 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.37 110.641 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 13.0 ttm -63.71 -40.27 96.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.65 111.562 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.3 -38.02 87.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 68.0 m -72.08 -34.8 68.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.561 -0.745 . . . . 1.05 111.196 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.655 HG13 ' O ' ' B' ' 50' ' ' ALA . 56.2 mt -62.63 -48.46 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.44 -0.578 . . . . 0.33 109.44 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.672 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.1 m -62.06 -44.67 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.53 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.54 -37.24 83.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.523 -0.762 . . . . 2.66 110.813 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -66.81 -51.53 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.869 -0.605 . . . . 0.41 112.006 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -85.24 -7.28 59.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.843 0.354 . . . . 1.24 111.534 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.63 42.18 18.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.015 -0.612 . . . . 0.42 112.815 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.672 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.4 p90 -139.22 -177.86 5.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.23 109.601 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.66 151.31 38.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.867 0.365 . . . . 2.33 110.738 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.457 ' O ' HG12 ' B' ' 65' ' ' VAL . 44.6 ttp180 -62.68 -23.52 67.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.582 -0.735 . . . . 3.67 110.386 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.82 -14.83 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.156 -0.474 . . . . 3.19 110.733 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.77 -3.79 57.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.66 111.037 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.1 p -60.12 -33.73 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.53 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -65.03 -37.41 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 1.63 110.979 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.19 -39.88 71.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.919 -0.658 . . . . 0.74 111.867 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.18 -52.51 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.889 0.376 . . . . 0.7 110.412 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.38 -13.97 61.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.13 111.43 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.63 -30.95 72.95 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.72 -0.752 . . . . 1.24 111.733 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.94 -34.18 10.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.949 0.404 . . . . 3.15 110.472 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -63.73 140.98 58.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.509 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -76.28 4.22 9.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 2.64 111.06 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CG ' HD11 ' B' ' 25' ' ' LEU . 40.3 m-85 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.83 -0.623 . . . . 1.7 109.875 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.819 -0.438 . . . . 1.95 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 57.1 tp -55.19 -49.23 72.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.782 0.325 . . . . 0.6 111.797 -175.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.63 112.082 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.84 -39.26 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.384 0.612 . . . . 2.3 109.946 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 92.0 mt -59.99 -49.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.072 -0.967 . . . . 0.61 110.525 175.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.88 -34.92 78.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 0.83 110.854 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.05 -36.22 74.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 1.83 110.27 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -78.99 -9.52 59.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 1.5 110.915 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 1.7 110.978 -178.704 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 N-CA-C 112.024 0.379 . . . . 1.09 112.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.84 166.34 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.32 109.671 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -51.07 -50.19 59.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.726 0.269 . . . . 2.1 111.726 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.48 -36.35 82.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.57 111.609 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.84 -41.09 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 1.54 110.466 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.8 mt -65.3 -50.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 0.44 110.758 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -32.58 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.2 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.85 86.88 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.777 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 mt -69.8 -35.24 74.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.515 -0.311 . . . . 0.46 110.986 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -60.56 -53.74 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.186 -0.461 . . . . 0.27 111.149 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.83 -31.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.24 110.643 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.99 -41.3 91.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 1.59 110.346 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.2 t80 -60.37 -48.31 82.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.529 . . . . 1.25 110.463 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.1 m-85 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.483 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 49.6 m -63.84 -35.81 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 1.15 110.62 177.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 39.0 t -63.12 -41.81 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.99 110.717 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 37.8 mt -63.85 -44.18 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.43 111.002 -177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.92 -21.13 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.47 111.009 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' SER . 11.6 tp10 -69.47 -44.94 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.316 -0.402 . . . . 2.22 110.317 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' SER . 60.3 pttt -86.94 1.94 50.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.399 0.619 . . . . 2.08 110.725 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttm 54.49 52.35 12.51 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.66 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.54 -35.31 12.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.301 -0.629 . . . . 2.12 109.301 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -83.8 151.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.51 110.399 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -76.45 163.26 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 1.82 111.397 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -50.71 58.21 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.606 0.595 . . . . 2.19 112.606 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.88 -41.32 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 2.3 110.767 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.74 95.57 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.854 -0.689 . . . . 0.39 111.96 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.1 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.747 0.308 . . . . 0.38 110.868 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.61 -39.04 93.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 1.84 110.713 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -61.64 -40.38 94.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.956 -0.565 . . . . 0.98 110.465 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.8 -31.46 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -63.68 -58.5 6.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.292 . . . . 0.48 110.724 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.43 -35.38 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.924 0.392 . . . . 0.36 110.568 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.83 -40.26 96.87 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.584 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 8.0 ttm -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.03 -0.532 . . . . 0.65 111.545 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.86 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.109 0.481 . . . . 1.99 110.176 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.2 m -70.84 -45.26 64.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 1.05 110.858 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.5 mt -57.02 -53.51 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.207 0.527 . . . . 0.34 110.278 177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -59.44 -48.26 82.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.399 -0.819 . . . . 0.8 111.191 -176.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -69.79 -29.26 66.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 2.66 111.069 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.99 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.42 111.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 44.5 m-85 -87.52 -28.77 21.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.426 . . . . 1.24 111.256 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.67 39.52 2.19 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.541 -0.837 . . . . 0.43 113.024 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' SER . 46.5 p90 -140.41 165.95 26.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.741 -0.466 . . . . 1.22 109.741 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.73 151.09 21.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.653 -0.249 . . . . 2.33 110.706 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.595 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.6 mtm180 -57.35 -44.79 84.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.391 0.615 . . . . 3.67 109.787 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -75.8 4.38 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.478 -0.783 . . . . 3.2 111.259 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -112.33 -1.58 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.602 -0.272 . . . . 0.67 111.605 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -65.0 -33.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 0.54 110.97 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.58 -40.21 93.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.232 -0.44 . . . . 1.63 110.824 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.88 -38.13 84.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.952 -0.642 . . . . 0.76 112.0 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 64' ' ' ALA . 64.9 mt -61.61 -52.33 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.337 . . . . 0.71 110.458 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.0 -34.16 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.585 . . . . 1.14 111.272 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.32 -34.55 88.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.951 -0.642 . . . . 1.25 112.32 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.09 -46.5 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 3.16 110.431 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.6 t -63.63 167.23 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.634 . . . . 2.02 110.912 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.38 12.49 10.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 2.64 110.981 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-O 121.292 0.568 . . . . 1.7 110.456 177.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.256 -0.275 . . . . 1.96 110.256 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.2 -55.52 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.6 111.478 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.3 88.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.63 111.687 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.46 -41.34 97.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 2.3 110.412 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' B' ' 86' ' ' ALA . 32.6 mt -58.55 -50.75 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.763 . . . . 0.61 111.151 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.98 -38.78 89.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.83 111.011 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.68 -40.09 92.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.234 -0.439 . . . . 1.83 110.804 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -70.51 -38.31 74.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 1.5 110.775 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.528 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.304 -0.407 . . . . 1.71 111.567 -176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.951 0.405 . . . . 1.09 112.054 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.91 166.23 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 1.33 109.65 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -50.94 -50.26 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.692 0.256 . . . . 2.1 111.692 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.57 -36.17 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.58 111.612 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.99 -41.03 74.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.261 0.553 . . . . 1.54 110.558 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 64.1 mt -65.31 -50.86 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.446 -0.797 . . . . 0.44 110.713 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.64 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 0.2 110.886 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.92 86.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.687 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 mt -69.68 -35.17 74.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.46 111.023 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 73.5 mt -60.62 -53.76 44.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.27 111.065 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.8 -31.74 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.23 110.609 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.05 -41.07 91.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.363 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.417 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.5 t80 -60.58 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 1.25 110.615 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.42 -38.76 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 1.22 110.486 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 50.3 m -63.86 -35.72 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 1.15 110.553 177.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 39.7 t -63.12 -42.03 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.99 110.734 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 37.5 mt -63.69 -44.13 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.44 111.076 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.08 -20.95 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.05 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 31' ' ' SER . 11.5 tp10 -69.51 -44.78 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.089 0.471 . . . . 2.22 110.352 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 32' ' ' SER . 60.2 pttt -87.14 1.88 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.264 0.554 . . . . 2.08 110.693 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 54.62 52.33 12.42 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.583 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -94.48 -35.22 12.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.352 -0.61 . . . . 2.11 109.352 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -83.85 151.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.729 . . . . 0.52 110.221 -177.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -76.43 163.18 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.253 -0.431 . . . . 1.82 111.335 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.11 -50.82 58.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.48 0.548 . . . . 2.19 112.48 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -60.63 -41.33 94.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 2.29 110.77 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.68 95.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.78 -0.724 . . . . 0.39 112.051 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.19 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.278 . . . . 0.38 110.75 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.54 -39.18 93.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.43 . . . . 1.84 110.687 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -61.56 -40.36 94.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.613 . . . . 0.98 110.452 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.83 -31.3 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.41 111.237 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.64 -58.53 6.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 0.48 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -35.37 69.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.93 0.395 . . . . 0.36 110.565 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.639 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -62.76 -40.21 96.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.37 110.63 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.422 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 8.0 ttm -64.6 -42.43 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.121 -0.49 . . . . 0.65 111.587 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -35.96 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.176 0.512 . . . . 1.99 110.23 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.88 -45.44 64.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.703 -0.68 . . . . 1.05 110.882 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.639 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.3 mt -57.01 -53.62 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.186 0.517 . . . . 0.33 110.218 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -59.32 -48.24 82.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.416 -0.811 . . . . 0.8 111.194 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.03 -28.99 65.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 2.66 111.089 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.68 83.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.92 0.391 . . . . 0.41 111.264 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 44.4 m-85 -87.49 -29.26 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 1.24 111.299 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.13 39.13 2.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.599 -0.81 . . . . 0.42 113.018 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' B' ' 55' ' ' SER . 46.6 p90 -140.01 166.1 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.705 -0.48 . . . . 1.23 109.705 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.79 151.24 21.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.674 -0.239 . . . . 2.33 110.828 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 65' ' ' VAL . 22.7 mtm180 -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.345 0.593 . . . . 3.67 109.871 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -75.82 4.53 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.484 -0.78 . . . . 3.19 111.207 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -112.39 -1.63 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.556 -0.293 . . . . 0.66 111.49 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.591 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -64.86 -33.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.53 111.02 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.64 -40.01 93.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.211 -0.45 . . . . 1.63 110.925 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.17 -37.9 82.15 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.977 -0.63 . . . . 0.74 112.031 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 64' ' ' ALA . 65.0 mt -61.73 -52.38 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.7 110.472 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.85 -34.04 77.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 1.13 111.352 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.58 -34.31 87.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.946 -0.645 . . . . 1.24 112.329 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.23 -46.54 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 3.15 110.421 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -63.64 167.27 5.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 2.02 110.853 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -86.25 12.33 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.915 -0.584 . . . . 2.64 111.002 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 1.7 110.437 178.037 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 34.7 m170 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 110.204 -0.295 . . . . 1.95 110.204 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.01 -55.69 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.794 0.33 . . . . 0.6 111.461 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.07 87.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.566 . . . . 0.63 111.848 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.68 -41.32 97.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.126 -0.488 . . . . 2.3 110.415 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 86' ' ' ALA . 32.5 mt -58.36 -50.89 77.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.518 -0.765 . . . . 0.61 111.127 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.92 -38.61 89.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.83 111.033 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -65.92 -39.87 90.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.169 -0.469 . . . . 1.83 110.727 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -70.61 -38.39 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.008 -0.542 . . . . 1.5 110.697 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.559 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' HB3' ' ND2' ' B' ' 84' ' ' ASN . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.285 0.564 . . . . 1.09 110.536 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.3 m -72.77 162.64 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.681 -0.69 . . . . 1.32 110.342 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -53.6 -46.62 70.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 2.1 110.045 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 8.7 pt-20 -54.52 -45.1 73.27 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.401 -0.818 . . . . 1.57 111.731 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 55.5 mt-10 -70.09 -44.46 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.54 111.049 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.3 mt -64.25 -49.8 79.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.979 -0.555 . . . . 0.44 110.448 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.29 86.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.2 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.48 88.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.31 110.905 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.85 -39.06 87.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.258 -0.428 . . . . 0.46 110.691 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.5 mt -63.03 -51.38 72.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.27 111.294 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 32.1 m -67.93 -35.89 73.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.24 111.08 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -69.05 -32.45 71.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 1.59 109.988 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 33' ' ' ILE . 50.2 t80 -64.47 -52.27 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 1.25 110.388 174.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -60.31 -40.93 92.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 1.22 110.905 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -64.5 -34.5 78.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.127 -0.488 . . . . 1.15 110.5 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 8.6 t -72.7 -24.76 61.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.599 -0.273 . . . . 0.99 110.414 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 29' ' ' TYR . 59.4 mt -64.52 -52.58 53.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.716 0.294 . . . . 0.43 110.564 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.47 -29.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.47 110.088 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 32' ' ' SER . 31.7 tt0 -54.53 -54.92 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.189 -0.914 . . . . 2.22 111.224 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -95.86 18.28 13.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 2.08 111.584 -176.499 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 54.46 51.57 13.9 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.201 -0.908 . . . . 2.6 111.525 174.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -99.79 -2.33 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.219 0.533 . . . . 2.12 110.542 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.3 tt -133.17 151.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.497 -0.774 . . . . 0.51 110.037 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.58 176.34 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.514 -0.312 . . . . 1.82 110.781 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -52.66 -50.06 63.97 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.631 0.582 . . . . 2.19 112.433 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.72 -48.48 77.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 2.3 111.138 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -69.73 -35.94 74.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.725 -0.75 . . . . 0.39 112.392 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.36 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.619 0.247 . . . . 0.38 111.151 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -66.22 -31.13 71.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 1.84 110.726 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.98 109.881 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.3 mt -71.21 -23.13 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.41 111.183 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -70.17 -49.76 47.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.736 -0.211 . . . . 0.48 111.009 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.96 -39.1 84.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 110.084 -0.339 . . . . 0.36 110.084 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.35 -37.29 86.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.37 110.674 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.3 tpp -53.2 -50.34 64.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.871 -0.604 . . . . 0.65 111.426 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.88 -38.83 92.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.367 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.42 -41.29 80.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.168 -0.469 . . . . 1.05 111.629 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 50' ' ' ALA . 59.8 mt -60.28 -47.44 92.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.276 0.56 . . . . 0.34 109.73 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.8 m -62.42 -45.74 91.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.476 -0.784 . . . . 0.8 110.519 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.95 -43.44 98.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 2.66 111.311 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -59.46 -44.88 92.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.906 -0.588 . . . . 0.42 111.896 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -83.98 -27.26 28.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.024 0.44 . . . . 1.24 111.378 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.88 4.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.56 -0.828 . . . . 0.43 113.115 175.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' O ' ' HB3' ' A' ' 55' ' ' SER . 47.5 p90 -131.19 162.61 29.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.756 -0.461 . . . . 1.22 109.756 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.7 23.92 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.749 -0.463 . . . . 2.33 109.749 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 41.1 ttp180 -62.2 -26.98 68.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.895 -0.593 . . . . 3.67 110.808 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.49 -4.82 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 3.2 110.876 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.19 -8.0 46.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 0.67 111.098 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.0 p -61.24 -33.73 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.502 -0.317 . . . . 0.54 110.442 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.76 -34.92 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 1.63 110.168 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.08 46.93 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.824 -0.703 . . . . 0.76 111.669 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.82 -48.02 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.71 110.561 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.67 4.37 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.344 -0.389 . . . . 1.14 111.32 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.06 14.71 8.94 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.33 -0.708 . . . . 1.25 111.33 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.27 -49.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 3.16 110.249 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 21' ' ' GLU . 16.2 m -77.9 171.97 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 2.02 110.168 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.42 -23.62 60.16 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.711 1.004 . . . . 2.64 113.711 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 1.7 112.066 -174.821 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.293 -0.632 . . . . 1.96 109.293 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.6 tp -56.27 -43.93 79.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.6 110.52 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.9 82.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.859 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.24 -42.24 81.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.289 0.566 . . . . 2.3 109.966 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 69.6 mt -58.29 -49.19 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.61 110.553 176.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.48 -29.99 70.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.894 -0.594 . . . . 0.83 111.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -60.0 -43.27 95.3 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.971 0.415 . . . . 1.83 110.595 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 p -86.26 -24.73 25.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.812 -0.631 . . . . 1.5 111.625 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.218 0.532 . . . . 1.71 111.416 -176.75 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.387 0.613 . . . . 1.09 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -72.42 162.74 29.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.381 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.8 -46.63 71.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.45 . . . . 2.1 110.022 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 8.8 pt-20 -54.43 -45.25 72.98 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.228 -0.896 . . . . 1.58 111.678 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.0 mt-10 -69.87 -44.6 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.54 111.107 -174.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.514 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.3 mt -64.25 -49.83 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.942 -0.572 . . . . 0.44 110.428 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.18 85.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.2 110.9 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.51 88.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.31 110.893 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.91 -38.99 87.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.46 110.693 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 22' ' ' ILE . 77.3 mt -63.11 -51.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.27 111.361 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 31.6 m -68.04 -35.87 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.015 -0.274 . . . . 0.23 110.979 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.98 -32.56 72.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 1.58 109.987 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.488 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.8 t80 -64.47 -52.22 59.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.938 -0.574 . . . . 1.25 110.422 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.21 -41.11 92.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 1.22 110.816 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.061 -0.518 . . . . 1.15 110.474 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 8.7 t -72.87 -24.71 60.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.61 -0.268 . . . . 0.99 110.447 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 29' ' ' TYR . 59.0 mt -64.43 -52.53 54.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.44 110.566 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.54 -29.71 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.247 0.546 . . . . 0.47 110.111 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' B' ' 32' ' ' SER . 31.4 tt0 -54.52 -54.8 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.164 -0.925 . . . . 2.22 111.214 176.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.1 OUTLIER -95.91 18.26 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 2.08 111.603 -176.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.0 tptt 54.41 51.55 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.175 -0.921 . . . . 2.6 111.498 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 16.3 mm-40 -99.89 -2.09 35.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.547 . . . . 2.11 110.51 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.4 tt -133.26 151.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.543 -0.753 . . . . 0.52 109.881 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.77 176.16 7.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.353 -0.385 . . . . 1.82 110.767 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.48 -50.08 63.41 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.581 0.586 . . . . 2.19 112.581 -172.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.77 -48.5 77.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.904 0.383 . . . . 2.29 111.057 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -69.71 -36.02 74.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.612 -0.804 . . . . 0.39 112.403 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.09 70.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.533 0.206 . . . . 0.38 111.115 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -66.31 -31.45 72.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.937 0.398 . . . . 1.84 110.661 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -65.57 -38.82 90.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.98 110.007 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.09 -23.17 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.41 111.177 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.11 -49.89 46.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.728 -0.215 . . . . 0.48 111.015 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.82 -38.92 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.81 -0.356 . . . . 0.36 110.167 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.583 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.63 -37.23 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.37 110.69 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.467 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -53.22 -50.22 65.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.987 -0.552 . . . . 0.65 111.477 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.79 -38.91 92.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 1.99 110.542 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 81.6 m -68.38 -41.14 80.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 1.05 111.675 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 50' ' ' ALA . 59.4 mt -60.32 -47.47 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.226 0.536 . . . . 0.33 109.784 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.6 m -62.34 -45.99 90.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.8 110.521 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.77 -43.57 97.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 2.66 111.262 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.41 111.773 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -83.95 -27.1 28.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 1.24 111.402 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.73 36.33 4.31 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.72 -0.752 . . . . 0.42 113.083 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' B' ' 55' ' ' SER . 47.1 p90 -131.54 162.57 29.97 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.895 -0.409 . . . . 1.23 109.895 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.6 23.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.145 -0.479 . . . . 2.33 109.821 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.459 ' O ' HG12 ' B' ' 65' ' ' VAL . 41.0 ttp180 -62.09 -27.0 68.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 3.67 110.866 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.47 -4.87 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.366 . . . . 3.19 110.868 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.14 -7.81 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.66 111.025 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.0 p -61.37 -33.79 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.53 110.461 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -63.79 -34.69 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.63 110.171 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.84 -42.11 46.9 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.87 -0.681 . . . . 0.74 111.745 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.86 -47.86 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.7 110.514 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.97 4.65 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 1.13 111.246 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.51 15.23 8.62 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.289 -0.724 . . . . 1.24 111.289 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.5 -49.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.953 0.406 . . . . 3.15 110.271 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 16.2 m -77.85 172.04 14.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.615 . . . . 2.02 110.094 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.52 -23.58 60.03 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.782 1.03 . . . . 2.64 113.782 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-O 121.272 0.558 . . . . 1.7 111.987 -174.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.436 -0.579 . . . . 1.95 109.436 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.2 -43.91 78.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.439 . . . . 0.6 110.644 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.03 82.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.63 111.778 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -57.15 -42.19 80.58 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.372 0.606 . . . . 2.3 109.969 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.24 -49.29 82.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.214 -0.903 . . . . 0.61 110.568 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.6 -29.95 70.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.59 . . . . 0.83 111.26 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . 0.536 ' ND2' ' HB3' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -59.95 -43.34 95.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.048 0.451 . . . . 1.83 110.605 176.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.4 p -86.36 -24.47 25.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 1.5 111.572 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.181 0.515 . . . . 1.7 111.319 -176.749 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.127 0.489 . . . . 1.09 110.476 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.41 151.57 30.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.896 -0.593 . . . . 1.32 109.449 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 18.9 pttm -53.01 -42.9 66.09 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.945 0.339 . . . . 2.1 111.74 -175.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.52 -39.22 83.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.796 0.331 . . . . 1.57 111.674 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 41.1 mt-10 -70.46 -38.1 74.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.458 0.647 . . . . 1.54 110.36 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.6 mt -68.52 -47.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.201 -0.908 . . . . 0.44 110.571 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.65 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.2 110.701 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -56.12 -51.07 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.31 110.826 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.56 -35.52 77.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.613 0.244 . . . . 0.46 110.992 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.4 mt -60.15 -54.07 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.251 -0.431 . . . . 0.27 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.38 -30.12 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.24 110.907 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.76 -44.35 93.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.59 110.064 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CE2' HD11 ' A' ' 33' ' ' ILE . 52.5 t80 -60.98 -49.04 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.25 110.957 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CB ' ' HE1' ' A' ' 51' ' ' MET . 21.2 m-85 -57.74 -43.91 85.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 1.22 110.606 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 m -66.64 -28.72 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.938 -0.573 . . . . 1.15 110.715 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 t -73.6 -32.87 64.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.99 110.462 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 29' ' ' TYR . 53.2 mt -65.33 -43.46 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.43 110.424 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.75 -19.76 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.47 110.767 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.64 -45.49 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.22 110.066 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -93.01 -9.54 39.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.396 0.617 . . . . 2.08 110.649 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.44 58.71 3.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.573 -1.194 . . . . 2.6 111.16 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -89.91 -30.02 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.837 -0.801 . . . . 2.12 108.837 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 tt -87.27 155.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.157 -0.929 . . . . 0.51 110.637 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.26 146.76 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.82 110.176 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.76 -27.67 69.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.386 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -44.04 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.029 0.442 . . . . 2.3 110.264 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -69.77 -33.77 71.43 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.39 112.02 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -37.66 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.967 0.413 . . . . 0.38 110.293 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.93 -42.86 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.305 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -29.45 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.908 0.385 . . . . 0.98 110.639 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 72.5 mt -70.29 -27.54 64.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.481 -0.327 . . . . 0.41 110.492 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.31 -54.9 29.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.618 -0.264 . . . . 0.48 110.828 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.7 -37.12 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.981 0.419 . . . . 0.36 110.252 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.69 -34.42 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.37 110.987 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.555 ' HE1' ' CB ' ' A' ' 30' ' ' PHE . 12.4 tpp -58.21 -52.29 66.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.65 111.082 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.76 -31.64 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 1.99 110.85 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.8 m -62.89 -48.22 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 1.05 110.568 175.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.6 mt -59.61 -45.3 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.223 0.535 . . . . 0.34 110.077 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 22.0 m -61.31 -48.55 80.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.412 -0.813 . . . . 0.8 111.219 -178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -65.41 -40.9 93.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 2.66 110.841 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.74 84.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 0.42 111.588 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 19' ' ' LYS . 26.5 m-85 -85.35 -17.65 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.222 -0.445 . . . . 1.24 111.375 -177.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.04 43.98 6.15 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.073 -0.584 . . . . 0.43 113.217 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.1 p90 -140.25 159.53 41.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 1.22 110.223 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.66 148.22 22.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.017 -0.538 . . . . 2.33 110.616 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -64.45 -18.5 64.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 3.67 111.488 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -96.66 -1.94 45.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.284 -0.417 . . . . 3.2 110.75 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.47 -0.19 30.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.79 -35.63 65.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.945 -0.57 . . . . 0.54 110.86 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 p -64.63 -36.05 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 1.63 110.751 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.12 -38.09 82.91 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.934 -0.651 . . . . 0.76 111.856 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.21 -41.19 88.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.019 0.438 . . . . 0.71 110.277 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.84 -1.27 16.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 1.14 110.997 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.78 -2.85 46.32 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.96 -0.638 . . . . 1.25 111.736 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -81.25 -45.17 16.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 3.16 110.346 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.3 m -125.43 -154.87 0.64 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.607 -0.724 . . . . 2.02 110.045 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.99 -112.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.123 0.264 . . . . 2.64 110.685 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.147 0.499 . . . . 1.7 110.934 178.049 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.0 m80 . . . . . 0 CA--C 1.518 -0.258 0 N-CA-C 109.257 -0.646 . . . . 1.96 109.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.2 tp -54.46 -47.94 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.844 0.354 . . . . 0.6 110.641 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.96 95.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.63 111.678 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.9 -42.02 88.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.348 0.594 . . . . 2.3 109.935 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' B' ' 86' ' ' ALA . 50.9 mt -63.45 -49.41 82.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.129 -0.942 . . . . 0.61 111.437 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 79' ' ' LEU . 8.4 mp -62.99 -40.9 99.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.83 112.123 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 17' ' ' ALA . 56.0 t30 -70.55 -44.34 67.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.806 0.336 . . . . 1.83 111.48 -176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.6 p -71.37 -6.46 40.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.506 0.558 . . . . 1.5 112.506 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' B' ' 82' ' ' ILE . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 113.246 0.832 . . . . 1.71 113.246 -173.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 84' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.217 0.532 . . . . 1.09 110.377 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.63 151.53 30.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.883 -0.599 . . . . 1.33 109.53 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 58' ' ' PHE . 18.9 pttm -53.0 -42.78 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.875 0.307 . . . . 2.1 111.788 -175.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.55 -39.3 83.55 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.693 0.282 . . . . 1.58 111.667 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 41.2 mt-10 -70.35 -38.36 74.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 1.54 110.432 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.468 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.4 mt -68.19 -47.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.44 110.542 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.75 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.2 110.675 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -56.11 -51.18 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.31 110.825 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.35 -35.58 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.978 -0.289 . . . . 0.46 111.064 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.4 mt -60.08 -54.06 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.27 111.056 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.23 -30.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.707 0.289 . . . . 0.23 110.903 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.74 -44.29 93.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.58 110.057 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' B' ' 33' ' ' ILE . 52.3 t80 -61.04 -49.11 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 1.25 110.853 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.553 ' CB ' ' HE1' ' B' ' 51' ' ' MET . 21.2 m-85 -57.71 -43.84 85.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 1.22 110.666 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.5 m -66.72 -28.68 68.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.873 -0.603 . . . . 1.15 110.625 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -73.65 -32.93 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.852 0.358 . . . . 0.99 110.486 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' B' ' 29' ' ' TYR . 53.1 mt -65.2 -43.54 95.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 0.44 110.385 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.67 -19.69 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.47 110.813 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.69 -45.68 88.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.12 0.486 . . . . 2.22 110.003 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -92.97 -9.26 40.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.45 0.643 . . . . 2.08 110.764 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.33 58.58 3.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.559 -1.201 . . . . 2.6 111.177 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.9 -29.93 18.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.868 -0.79 . . . . 2.11 108.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.2 tt -87.39 155.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.083 -0.962 . . . . 0.52 110.647 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.24 146.62 50.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.848 -0.614 . . . . 1.82 110.174 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.72 -27.63 69.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.407 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.4 -44.13 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.438 . . . . 2.29 110.187 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.459 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -69.82 -33.69 71.08 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.604 -0.726 . . . . 0.39 112.039 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.64 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.423 . . . . 0.38 110.264 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.82 -42.86 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.647 -0.706 . . . . 1.84 111.398 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -29.36 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.87 0.366 . . . . 0.98 110.65 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 72.7 mt -70.2 -27.63 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.501 -0.318 . . . . 0.41 110.623 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.19 -55.08 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.586 -0.279 . . . . 0.48 110.87 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.49 -37.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.946 0.403 . . . . 0.36 110.348 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.508 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.78 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.908 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.553 ' HE1' ' CB ' ' B' ' 30' ' ' PHE . 12.5 tpp -58.26 -52.46 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.65 110.931 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.61 -31.68 71.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.871 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 83.4 m -62.9 -48.13 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.533 -0.303 . . . . 1.05 110.489 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.6 mt -59.63 -45.41 94.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.305 0.574 . . . . 0.33 110.094 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 22.0 m -61.24 -48.55 80.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.439 -0.8 . . . . 0.8 111.274 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -65.46 -40.78 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 2.66 110.847 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.98 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.41 111.631 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' B' ' 19' ' ' LYS . 26.9 m-85 -85.21 -17.56 36.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.441 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 44.24 6.11 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.967 -0.635 . . . . 0.42 113.241 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.0 p90 -140.6 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.94 0.37 . . . . 1.23 110.274 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -92.39 148.15 22.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.146 -0.479 . . . . 2.33 110.584 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -64.45 -18.23 64.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.689 -0.687 . . . . 3.67 111.431 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.86 -1.95 44.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.062 0.458 . . . . 3.19 110.699 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 -0.33 30.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.66 110.989 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.62 -35.62 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.866 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -64.68 -35.86 82.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 1.63 110.837 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.26 -38.02 81.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.018 -0.61 . . . . 0.74 111.936 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.26 -41.24 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.7 110.296 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.76 -1.49 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 1.13 111.03 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.7 -2.94 46.61 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.934 -0.651 . . . . 1.24 111.715 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -81.14 -45.25 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 3.15 110.374 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.1 m -125.48 -155.01 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.681 -0.69 . . . . 2.02 109.985 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.76 -112.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.544 0.211 . . . . 2.64 110.676 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.234 0.54 . . . . 1.7 110.964 178.017 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m80 . . . . . 0 CA--C 1.52 -0.186 0 N-CA-C 109.23 -0.655 . . . . 1.95 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -54.61 -47.92 72.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.724 0.297 . . . . 0.6 110.634 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.06 96.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.385 -0.371 . . . . 0.63 111.638 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -58.86 -42.0 88.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.346 0.594 . . . . 2.3 109.95 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' ALA . 50.7 mt -63.45 -49.37 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.153 -0.93 . . . . 0.61 111.493 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 79' ' ' LEU . 8.4 mp -63.09 -40.79 98.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.949 -0.569 . . . . 0.83 112.134 -176.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . 0.469 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 56.3 t30 -70.67 -44.14 67.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.587 -0.278 . . . . 1.83 111.384 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -72.78 -3.68 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.438 0.533 . . . . 1.5 112.438 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 113.083 0.771 . . . . 1.7 113.083 -174.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.567 -0.531 . . . . 1.09 109.567 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -76.29 165.29 25.08 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.107 -0.331 . . . . 1.32 110.107 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -50.72 -54.3 24.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.782 0.325 . . . . 2.1 111.418 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.0 pt-20 -58.13 -35.06 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 1.57 111.595 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 56.1 mt-10 -76.81 -36.63 56.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.566 . . . . 1.54 110.745 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 90.9 mt -65.03 -49.66 78.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.44 109.743 174.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.71 76.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.2 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.52 -43.83 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.692 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 74' ' ' PHE . 42.5 mt -70.65 -34.67 72.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.448 -0.342 . . . . 0.46 111.119 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -61.66 -51.08 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.27 110.641 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.8 m -71.61 -29.18 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.24 110.647 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -62.0 -43.61 98.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.307 -0.406 . . . . 1.59 110.483 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' A' ' 33' ' ' ILE . 29.4 t80 -58.62 -51.43 69.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 1.25 110.357 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 23.2 m-85 -61.04 -42.24 98.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 1.22 110.735 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -60.59 -41.85 95.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.15 110.496 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -65.43 -39.58 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.99 110.429 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.1 mt -58.4 -50.89 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.43 110.951 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.89 -24.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.427 -0.352 . . . . 0.47 111.144 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.55 -44.82 93.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 2.22 111.027 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -100.16 9.78 42.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 2.08 111.146 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.74 61.52 3.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.005 -0.998 . . . . 2.6 110.613 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.83 -9.62 36.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.265 -0.88 . . . . 2.12 109.28 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 15.4 tt -120.75 160.02 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.846 -1.07 . . . . 0.51 109.849 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -70.77 155.57 40.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 1.82 110.222 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.39 -43.89 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.864 0.32 . . . . 2.19 111.864 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.38 -34.84 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 2.3 110.753 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -74.18 -36.05 51.78 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.98 -0.629 . . . . 0.39 111.746 178.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.59 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.157 0.504 . . . . 0.38 109.98 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.43 -45.59 83.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.345 -0.843 . . . . 1.84 111.107 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.3 -30.41 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.98 110.835 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 66.7 mt -70.61 -19.84 62.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.499 -0.318 . . . . 0.41 111.206 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.84 -49.6 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.452 0.168 . . . . 0.48 110.703 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.5 -31.2 52.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.099 0.476 . . . . 0.36 109.971 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -66.73 -42.76 85.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.37 110.346 174.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.5 tpp -50.67 -48.67 58.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.718 -0.674 . . . . 0.65 111.479 -176.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.25 -50.03 69.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.632 -0.713 . . . . 1.99 111.654 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 50' ' ' ALA . 6.2 p -71.3 -36.29 71.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 50' ' ' ALA . 86.1 mt -59.55 -51.58 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.4 0.619 . . . . 0.34 109.859 175.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -63.41 -41.38 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.208 -0.905 . . . . 0.8 110.408 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.64 -33.19 73.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.527 . . . . 2.66 111.073 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.95 70.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.359 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -77.28 -17.6 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.063 -0.517 . . . . 1.24 111.417 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.26 43.81 4.54 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.762 -0.732 . . . . 0.43 113.21 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.45 173.22 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.759 -0.46 . . . . 1.22 109.759 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.37 153.24 26.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.022 0.439 . . . . 2.33 110.868 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.89 -18.91 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.421 -0.809 . . . . 3.67 111.223 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -83.99 -5.85 59.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 3.2 111.018 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 1.66 23.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.713 0.292 . . . . 0.67 111.177 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 7.7 p -62.16 -40.09 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 0.54 111.25 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -66.53 -37.15 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 1.63 110.698 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.64 94.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.909 -0.663 . . . . 0.76 111.843 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -45.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.657 0.265 . . . . 0.71 110.667 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 93.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 1.14 111.309 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.16 -31.82 80.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 1.25 111.987 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -79.89 -35.42 38.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.783 0.325 . . . . 3.16 110.998 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -73.77 -175.36 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 2.02 111.862 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.51 -44.87 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.059 -0.519 . . . . 2.64 110.627 175.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.8 m-85 . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 1.7 111.983 -164.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.085 -0.709 . . . . 1.96 109.085 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 54.6 tp -54.27 -43.85 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.103 0.478 . . . . 0.6 110.934 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -65.65 -31.28 72.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.63 112.102 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.419 0.628 . . . . 2.3 109.629 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 98.0 mt -59.1 -53.33 49.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.799 -1.091 . . . . 0.61 110.948 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.47 -26.0 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.83 111.532 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.49 -34.84 65.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 1.83 110.637 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -85.58 -17.59 35.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.5 110.981 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.544 -0.298 . . . . 1.71 110.675 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.628 -0.508 . . . . 1.09 109.628 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -76.1 165.12 25.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.077 -0.342 . . . . 1.33 110.077 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.61 -54.49 22.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.932 0.396 . . . . 2.1 111.366 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 10.0 pt-20 -58.06 -35.22 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 1.58 111.472 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.2 mt-10 -76.75 -36.58 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.538 . . . . 1.54 110.706 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.522 ' O ' HG13 ' B' ' 26' ' ' ILE . 91.3 mt -65.0 -49.71 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.729 174.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.8 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.508 -0.769 . . . . 0.2 111.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.91 84.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.31 110.687 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' B' ' 74' ' ' PHE . 42.7 mt -70.58 -34.71 72.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.497 -0.319 . . . . 0.46 111.153 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.1 mt -61.67 -51.13 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.019 -0.537 . . . . 0.27 110.653 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.8 m -71.56 -29.12 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.573 -0.285 . . . . 0.23 110.579 178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.11 -43.49 98.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.426 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' B' ' 33' ' ' ILE . 29.3 t80 -58.7 -51.47 69.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 1.25 110.357 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 23.1 m-85 -61.03 -42.2 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 1.22 110.825 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.6 t -60.68 -41.89 96.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 1.15 110.339 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -65.35 -39.55 92.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.99 110.455 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 29' ' ' TYR . 61.3 mt -58.37 -50.84 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.44 111.019 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.05 -24.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 0.47 111.221 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.76 -44.87 92.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.22 110.999 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -100.08 9.59 42.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.066 0.46 . . . . 2.08 111.178 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.99 61.19 3.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.018 -0.992 . . . . 2.6 110.687 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.6 -9.69 37.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 2.11 109.208 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 15.4 tt -120.59 160.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.95 -1.023 . . . . 0.52 109.818 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -70.83 155.6 40.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.18 -0.304 . . . . 1.82 110.18 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.33 -44.08 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.718 0.294 . . . . 2.19 111.79 -174.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.08 -34.94 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 2.29 110.791 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -74.15 -36.19 51.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.011 -0.614 . . . . 0.39 111.727 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.67 81.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.312 0.577 . . . . 0.38 110.038 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.32 -45.57 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.267 -0.879 . . . . 1.84 110.965 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.45 -30.36 70.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.98 110.83 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 66.6 mt -70.61 -20.0 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.41 111.168 175.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -73.77 -49.54 24.94 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.265 -0.174 . . . . 0.48 110.751 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.35 -31.5 53.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.014 0.435 . . . . 0.36 109.967 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' B' ' 53' ' ' CYS . . . -66.57 -42.73 86.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.37 110.316 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.5 tpp -50.74 -48.62 59.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.65 111.493 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.38 -50.0 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 1.99 111.525 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' B' ' 50' ' ' ALA . 6.2 p -71.33 -36.16 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 50' ' ' ALA . 86.9 mt -59.75 -51.42 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.3 0.571 . . . . 0.33 109.8 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.44 -41.33 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.276 -0.874 . . . . 0.8 110.403 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.67 -33.33 73.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 2.66 110.959 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.78 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.41 111.382 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -77.45 -17.4 58.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.387 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 44.1 4.56 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.72 -0.753 . . . . 0.42 113.198 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.61 173.25 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.39 153.29 26.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.051 0.453 . . . . 2.33 110.782 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.91 -18.93 64.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.304 -0.862 . . . . 3.67 111.133 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.15 -5.64 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.808 0.337 . . . . 3.19 111.019 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.63 1.71 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.317 . . . . 0.66 111.248 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 7.8 p -62.2 -40.11 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.53 111.206 -176.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -66.54 -36.95 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.78 0.324 . . . . 1.63 110.687 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.5 -43.91 93.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.93 -0.653 . . . . 0.74 111.837 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.75 0.31 . . . . 0.7 110.689 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 93.8 mt -63.09 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.13 111.223 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.21 -31.96 80.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.901 -0.666 . . . . 1.24 111.967 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -79.68 -35.46 39.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.742 0.306 . . . . 3.15 111.048 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.74 -175.45 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.027 0.441 . . . . 2.02 111.831 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -65.39 -44.97 85.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.206 0.527 . . . . 2.64 110.656 175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' B' ' 25' ' ' LEU . 12.3 m-85 . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.756 -0.656 . . . . 1.7 111.974 -164.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.6 m80 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.138 -0.69 . . . . 1.95 109.138 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 54.9 tp -54.3 -43.82 71.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.135 0.493 . . . . 0.6 110.932 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' B' ' 29' ' ' TYR . . . -65.48 -31.44 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.63 112.126 -176.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -60.36 -39.91 88.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.461 0.648 . . . . 2.3 109.603 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 98.0 mt -59.14 -53.46 47.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.885 -1.052 . . . . 0.61 110.9 176.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.5 -25.84 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.83 111.512 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -73.5 -34.91 65.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.411 -0.359 . . . . 1.83 110.7 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.4 t -85.47 -17.72 35.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.5 110.918 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-O 120.678 0.275 . . . . 1.7 110.647 -179.545 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.323 0.582 . . . . 1.09 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.8 163.75 27.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.423 -0.808 . . . . 1.32 110.907 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -51.95 -46.41 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.219 0.533 . . . . 2.1 110.608 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -57.55 -41.51 81.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.029 -0.987 . . . . 1.57 111.69 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.82 -44.02 74.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 1.54 110.504 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 26' ' ' ILE . 48.3 mt -64.35 -49.56 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.44 110.515 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.7 77.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.2 111.087 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.1 86.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 0.31 110.745 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 97.7 mt -68.1 -34.09 75.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.46 110.859 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.0 mt -63.63 -52.18 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.079 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.13 -27.13 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.24 110.472 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -62.89 -47.12 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.59 110.366 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.473 ' O ' HG13 ' A' ' 33' ' ' ILE . 39.7 t80 -58.68 -51.46 69.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 1.25 110.887 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.88 -41.47 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.264 -0.426 . . . . 1.22 110.876 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -63.32 -35.54 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 1.15 110.902 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.5 m -64.36 -38.15 90.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.745 0.307 . . . . 0.99 110.859 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.2 mt -68.09 -43.97 84.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.936 0.398 . . . . 0.43 110.964 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.14 -30.89 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.47 111.392 -176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.32 -37.86 88.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.524 -0.307 . . . . 2.22 111.068 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 32' ' ' SER . 46.7 pttt -90.48 1.78 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 2.08 111.048 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 55.27 48.62 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.415 -0.811 . . . . 2.6 110.787 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -93.09 -28.86 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.451 0.644 . . . . 2.12 109.79 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.4 tt -93.84 151.38 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.252 -0.885 . . . . 0.51 109.796 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 m -64.33 153.02 39.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.467 -0.333 . . . . 1.82 111.249 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.59 -47.27 63.6 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.085 0.402 . . . . 2.19 112.085 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.87 -45.64 86.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.544 -0.298 . . . . 2.3 111.061 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.4 96.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.033 -0.603 . . . . 0.39 112.024 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -47.2 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 0.38 110.692 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.83 -36.42 82.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.865 -0.607 . . . . 1.84 110.668 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.2 t -62.8 -39.66 94.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.98 110.08 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.73 -25.97 66.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.41 111.309 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -67.34 -52.88 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.781 -0.19 . . . . 0.48 111.245 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.53 -34.82 72.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.36 109.949 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.78 -42.1 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 0.37 110.478 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.5 ttm -67.76 -36.54 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.65 111.436 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.4 -33.82 76.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.521 . . . . 1.99 109.822 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.8 m -72.0 -46.21 58.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.491 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.3 mt -55.7 -53.63 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.113 0.482 . . . . 0.34 110.507 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 14.0 p -60.05 -46.67 88.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.646 -0.706 . . . . 0.8 111.553 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.61 -33.28 74.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 2.66 111.065 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -35.26 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.42 111.543 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 51.5 m-85 -94.61 -20.86 19.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 1.24 111.041 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 43.94 2.1 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.811 -0.709 . . . . 0.43 113.555 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' SER . 50.7 p90 -150.14 179.9 7.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.04 0.42 . . . . 1.22 110.012 175.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.72 169.9 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.32 -0.252 . . . . 2.33 110.32 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.677 ' O ' HG12 ' A' ' 65' ' ' VAL . 68.1 ttt180 -60.79 -45.34 94.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.75 0.278 . . . . 3.67 111.75 -174.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -67.96 -9.54 46.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.747 0.277 . . . . 3.2 111.747 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -82.57 -14.16 55.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.741 -0.209 . . . . 0.67 111.397 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 62' ' ' ARG . 8.6 p -60.55 -35.21 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.843 0.354 . . . . 0.54 110.776 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -62.36 -35.3 78.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.63 110.527 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.27 -41.07 27.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.967 -0.635 . . . . 0.76 111.975 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 64' ' ' ALA . 58.7 mt -61.14 -45.18 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.336 . . . . 0.71 110.303 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 72' ' ' SER . 87.5 mt -72.87 -0.9 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 1.14 111.439 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.03 -25.86 10.09 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.792 -0.718 . . . . 1.25 111.691 175.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.39 -24.52 13.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.047 0.451 . . . . 3.16 111.056 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 69' ' ' LEU . 57.3 p -75.18 173.7 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 2.02 111.215 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -90.8 13.09 17.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.877 -0.601 . . . . 2.64 110.782 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CG ' HD11 ' A' ' 25' ' ' LEU . 80.6 m-85 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.389 0.614 . . . . 1.7 109.867 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.271 -0.64 . . . . 1.96 109.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 38.0 tp -55.25 -54.17 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.6 111.289 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.17 -30.82 71.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.327 -0.397 . . . . 0.63 111.402 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -65.27 -43.53 90.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.54 0.686 . . . . 2.3 109.572 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.08 -50.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.848 -1.069 . . . . 0.61 110.798 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.83 111.082 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -69.7 -17.94 63.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.269 0.557 . . . . 1.83 110.542 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m -89.36 -8.89 52.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.866 -0.606 . . . . 1.5 110.964 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 1.71 111.207 -177.099 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.329 0.585 . . . . 1.09 109.642 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -71.94 163.59 27.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.337 -0.847 . . . . 1.33 110.973 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -51.81 -46.44 64.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.182 0.515 . . . . 2.1 110.578 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.073 -0.967 . . . . 1.58 111.635 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.93 -44.12 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.271 0.558 . . . . 1.54 110.449 -177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.4 mt -64.14 -49.67 80.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.303 -0.862 . . . . 0.44 110.551 -179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.54 77.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.2 111.089 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.17 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.31 110.703 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 97.3 mt -68.0 -34.09 75.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.915 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.74 -52.12 61.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.27 111.113 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.09 -27.21 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.23 110.424 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.87 -47.17 84.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.841 -0.618 . . . . 1.58 110.333 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.462 ' O ' HG13 ' B' ' 33' ' ' ILE . 40.0 t80 -58.61 -51.59 69.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 1.25 110.84 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.75 -41.45 91.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.365 . . . . 1.22 110.868 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -63.53 -35.27 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.396 . . . . 1.15 110.882 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 50.8 m -64.6 -38.19 90.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.869 0.366 . . . . 0.99 110.823 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.1 mt -67.92 -43.96 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.937 0.399 . . . . 0.44 111.036 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.12 -31.02 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.47 111.395 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.23 -37.84 88.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.776 0.322 . . . . 2.22 111.101 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 32' ' ' SER . 46.6 pttt -90.35 1.43 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.417 . . . . 2.08 111.169 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttm 55.58 48.66 18.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.335 -0.848 . . . . 2.6 110.776 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.21 -28.66 16.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.583 0.706 . . . . 2.11 109.81 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.4 tt -94.14 151.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.22 -0.9 . . . . 0.52 109.797 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -64.38 153.17 39.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.419 -0.355 . . . . 1.82 111.194 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -51.75 -47.24 64.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.151 0.426 . . . . 2.19 112.151 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.05 -45.53 86.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.585 -0.279 . . . . 2.29 110.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.4 96.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.045 -0.598 . . . . 0.39 112.119 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.23 84.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.38 110.773 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.91 -36.33 82.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.712 -0.676 . . . . 1.84 110.621 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.3 t -62.81 -39.66 94.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.743 -0.662 . . . . 0.98 110.09 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.7 -26.17 66.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.41 111.328 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -67.19 -53.02 34.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.787 -0.188 . . . . 0.48 111.25 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.37 -34.86 72.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.027 0.441 . . . . 0.36 109.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.614 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.81 -42.05 97.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.37 110.507 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.424 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 11.3 ttm -67.66 -36.72 81.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.65 111.451 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.32 -33.78 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.368 0.604 . . . . 1.99 109.877 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.7 m -72.04 -46.07 58.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.554 -0.748 . . . . 1.05 110.484 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.1 mt -55.92 -53.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.063 0.459 . . . . 0.33 110.463 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 14.2 p -60.04 -46.6 89.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.8 111.582 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.86 -32.98 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 2.66 111.163 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.41 111.453 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 51.5 m-85 -94.82 -20.53 19.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.24 111.1 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 44.06 2.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.42 113.618 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' B' ' 55' ' ' SER . 50.9 p90 -150.26 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.938 -0.393 . . . . 1.23 109.938 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.77 169.79 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.397 -0.223 . . . . 2.33 110.397 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.686 ' O ' HG12 ' B' ' 65' ' ' VAL . 68.4 ttt180 -60.89 -45.13 95.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.724 0.268 . . . . 3.67 111.724 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.3 -9.36 47.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.163 -0.336 . . . . 3.19 111.76 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -82.71 -14.11 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.701 -0.227 . . . . 0.66 111.401 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 62' ' ' ARG . 8.9 p -60.44 -35.35 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.847 0.356 . . . . 0.53 110.89 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.7 m -62.17 -35.27 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 1.63 110.637 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.41 -40.95 26.76 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.992 -0.549 . . . . 0.74 112.028 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 64' ' ' ALA . 58.3 mt -61.25 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.7 110.288 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 1.13 111.471 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.18 -25.65 10.14 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.771 -0.728 . . . . 1.24 111.68 175.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -102.46 -24.75 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.988 0.423 . . . . 3.15 110.989 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 57.6 p -74.96 173.79 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.022 -0.536 . . . . 2.02 111.239 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -90.91 13.07 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 2.64 110.77 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' B' ' 25' ' ' LEU . 80.0 m-85 . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 1.7 109.813 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.315 -0.624 . . . . 1.95 109.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 37.9 tp -55.13 -54.23 45.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.6 111.379 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.97 71.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.314 -0.403 . . . . 0.63 111.379 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -65.29 -43.68 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.428 0.632 . . . . 2.3 109.5 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.03 -50.24 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.882 -1.054 . . . . 0.61 110.874 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.83 111.008 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -69.87 -17.36 63.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.138 0.494 . . . . 1.83 110.521 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.6 m -90.89 -7.09 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.779 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 1.7 111.136 -177.698 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.118 0.485 . . . . 1.09 111.242 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.64 157.7 36.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.24 -0.436 . . . . 1.32 110.125 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.88 -51.39 57.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 2.1 111.244 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.77 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 1.57 111.526 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 90.6 mt-10 -76.28 -37.55 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.15 -0.477 . . . . 1.54 110.939 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 76.4 mt -66.16 -49.59 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 0.44 109.765 175.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.06 72.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.2 110.682 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.55 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.31 110.669 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 74' ' ' PHE . 75.5 mt -66.86 -37.37 84.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.307 -0.406 . . . . 0.46 111.038 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.6 mt -62.01 -51.02 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.077 -0.51 . . . . 0.27 111.162 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.563 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 28.6 m -68.91 -32.94 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.93 -0.308 . . . . 0.24 110.667 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -66.99 -32.58 73.91 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.073 0.463 . . . . 1.59 110.233 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' O ' HG13 ' A' ' 33' ' ' ILE . 54.3 t80 -68.68 -51.83 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.826 -0.624 . . . . 1.25 110.697 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 18.4 m-85 -61.17 -44.75 96.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.22 111.259 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 p -67.49 -22.24 65.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.404 -0.362 . . . . 1.15 111.121 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -71.84 -41.53 68.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 0.99 110.238 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 29' ' ' TYR . 16.6 mt -66.45 -39.29 83.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.181 -0.463 . . . . 0.43 110.836 -177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 31' ' ' SER . 20.6 m -76.48 -27.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.47 110.635 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.55 74.11 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.127 0.489 . . . . 2.22 110.119 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -1.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.841 -0.618 . . . . 2.08 110.855 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' CE ' ' HG2' ' A' ' 41' ' ' GLU . 19.7 tptm 55.93 45.63 23.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.858 -1.064 . . . . 2.6 111.43 175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.75 -18.01 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.323 0.582 . . . . 2.12 110.235 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 18.6 tt -94.12 150.78 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.823 -0.626 . . . . 0.51 110.149 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -59.01 138.53 57.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 1.82 110.558 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 37' ' ' LYS . 39.3 mt-10 -62.32 -29.63 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.267 -0.879 . . . . 2.19 112.326 -170.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.56 -46.96 71.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.037 0.446 . . . . 2.3 109.989 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.47 85.66 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.39 111.898 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.47 89.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.947 0.404 . . . . 0.38 110.45 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.48 -41.21 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.497 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.98 110.384 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.75 -27.19 62.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 0.41 110.98 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.8 m120 -68.19 -50.35 54.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.727 -0.215 . . . . 0.48 110.801 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -35.48 75.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.019 0.438 . . . . 0.36 110.207 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.37 110.642 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.4 tpp -57.39 -48.66 78.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.776 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -43.99 94.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.602 -0.726 . . . . 1.99 110.214 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.49 -46.91 86.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.608 -0.723 . . . . 1.05 111.689 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.0 mt -60.37 -51.01 77.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.014 0.435 . . . . 0.34 110.325 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 18.7 m -59.81 -46.45 89.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 0.8 110.726 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 2.66 111.268 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.3 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.754 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -91.4 -12.09 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.841 0.353 . . . . 1.24 111.486 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.56 39.73 9.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 0.43 113.257 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.3 p90 -138.37 164.89 28.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.038 0.419 . . . . 1.22 109.904 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -98.02 143.72 28.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.982 0.42 . . . . 2.33 110.441 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 ptt180 -60.12 -19.83 55.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.417 -0.811 . . . . 3.67 111.293 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -84.79 -15.53 44.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.354 -0.384 . . . . 3.2 110.685 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 -0.27 53.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.67 111.483 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 62' ' ' ARG . 3.8 p -58.47 -38.85 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.834 0.349 . . . . 0.54 111.17 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -63.3 -37.13 86.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 1.63 110.128 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.32 -39.7 70.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.76 112.183 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.56 -48.2 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.069 0.462 . . . . 0.71 110.622 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.25 -36.72 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 1.14 110.826 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.27 -26.27 72.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.78 -0.724 . . . . 1.25 112.061 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -68.99 -57.35 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 3.16 111.148 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.3 m -98.64 -115.06 0.15 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.152 -0.476 . . . . 2.02 111.149 -176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -126.04 -147.73 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.0 -0.371 . . . . 2.64 110.0 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 25' ' ' LEU . 70.3 m-85 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.673 0.749 . . . . 1.7 109.78 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.1 m80 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.569 -0.53 . . . . 1.96 109.569 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' LEU . 40.7 tp -56.09 -53.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.809 0.338 . . . . 0.6 110.83 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.43 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.365 . . . . 0.63 111.478 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.41 -45.57 87.02 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.333 0.587 . . . . 2.3 109.682 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' B' ' 86' ' ' ALA . 46.7 mt -58.44 -50.34 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 0.61 111.159 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -60.07 -38.61 83.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.83 111.089 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -69.52 -37.51 77.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.83 110.784 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -69.53 -28.42 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.085 0.469 . . . . 1.5 110.501 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.238 -0.437 . . . . 1.71 111.068 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.153 0.501 . . . . 1.09 111.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.71 157.63 36.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.157 -0.474 . . . . 1.33 110.226 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.73 -51.51 55.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.408 . . . . 2.1 111.19 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.72 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.644 -0.707 . . . . 1.58 111.512 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 90.3 mt-10 -76.31 -37.44 57.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.134 -0.485 . . . . 1.54 110.945 -175.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' B' ' 26' ' ' ILE . 76.4 mt -66.2 -49.54 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.101 -0.5 . . . . 0.44 109.859 175.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.07 72.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.715 -0.675 . . . . 0.2 110.719 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.43 75.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.643 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' B' ' 74' ' ' PHE . 75.1 mt -66.94 -37.37 84.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.374 -0.375 . . . . 0.46 110.979 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -62.03 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.27 111.173 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.555 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 28.6 m -68.99 -32.8 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.86 -0.336 . . . . 0.23 110.763 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -67.05 -32.46 73.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 1.58 110.37 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' TYR . . . . . 0.422 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.0 t80 -68.77 -51.83 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 1.25 110.693 177.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.76 96.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.235 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -67.61 -22.14 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 1.15 111.121 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -71.98 -41.56 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.99 110.085 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 29' ' ' TYR . 16.6 mt -66.43 -39.33 83.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.157 -0.474 . . . . 0.44 110.822 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.45 -27.08 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.47 110.63 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.81 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.133 0.492 . . . . 2.22 110.021 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 -1.81 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 2.08 110.945 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.433 ' CE ' ' HG2' ' B' ' 41' ' ' GLU . 19.8 tptm 55.96 45.29 24.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.78 -1.1 . . . . 2.6 111.47 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.29 -18.39 18.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.189 0.519 . . . . 2.11 110.246 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 18.6 tt -93.71 150.75 3.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.855 -0.612 . . . . 0.52 110.152 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -58.91 138.54 57.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 1.82 110.607 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' CE ' ' B' ' 37' ' ' LYS . 40.0 mt-10 -62.7 -29.4 70.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.215 -0.902 . . . . 2.19 112.284 -169.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 -47.02 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.022 0.439 . . . . 2.29 110.077 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.6 86.2 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.604 -0.726 . . . . 0.39 111.884 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.38 110.364 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.64 -41.04 93.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.529 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -62.21 -34.54 76.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.98 110.449 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.74 -27.31 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.41 110.97 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.25 -50.06 56.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.625 -0.261 . . . . 0.48 110.94 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.69 -35.62 75.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.36 110.101 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.522 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -66.67 -34.45 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.37 110.622 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' MET . . . . . 0.555 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -57.42 -48.59 78.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.65 110.818 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.84 -44.07 94.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.588 -0.733 . . . . 1.99 110.21 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.56 -46.93 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.532 -0.758 . . . . 1.05 111.706 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.4 mt -60.41 -50.93 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.032 0.444 . . . . 0.33 110.262 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.7 m -59.87 -46.46 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.575 -0.739 . . . . 0.8 110.72 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.38 -42.41 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 2.66 111.271 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.19 90.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.41 111.776 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -91.5 -12.34 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.913 0.387 . . . . 1.24 111.46 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.59 9.5 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.42 113.279 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.5 p90 -138.18 165.1 27.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.911 -0.403 . . . . 1.23 109.911 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -98.18 143.68 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.038 0.447 . . . . 2.33 110.428 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 20.7 ptt180 -60.09 -19.8 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.389 -0.823 . . . . 3.67 111.323 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -84.81 -15.48 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 3.19 110.797 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.36 -0.33 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.66 111.533 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 3.8 p -58.39 -38.9 72.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.53 111.136 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -63.52 -36.76 84.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.63 110.187 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.53 -39.64 68.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.032 -0.604 . . . . 0.74 112.169 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.53 -48.22 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.971 0.415 . . . . 0.7 110.686 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -36.75 82.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.617 . . . . 1.13 110.859 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.16 -26.42 72.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 1.24 112.222 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.89 -57.43 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.829 0.347 . . . . 3.15 111.096 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 39.8 m -98.6 -115.18 0.15 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 2.02 111.126 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -126.02 -147.66 0.37 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.023 -0.362 . . . . 2.64 110.023 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.403 ' CD1' HD11 ' B' ' 25' ' ' LEU . 70.2 m-85 . . . . . 0 CA--C 1.521 -0.149 0 CA-C-O 121.604 0.716 . . . . 1.7 109.676 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 m80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.574 -0.528 . . . . 1.95 109.574 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' B' ' 83' ' ' LEU . 40.7 tp -56.35 -53.28 59.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.6 110.862 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.4 72.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.42 -0.354 . . . . 0.63 111.484 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.24 -45.69 87.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.445 0.641 . . . . 2.3 109.668 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 86' ' ' ALA . 45.8 mt -58.47 -50.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.796 -1.093 . . . . 0.61 111.124 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.7 mp -60.13 -38.48 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.015 -0.538 . . . . 0.83 111.068 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -69.64 -37.58 76.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.272 -0.422 . . . . 1.83 110.839 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.7 t -69.47 -28.33 65.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 1.5 110.515 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 1.7 110.983 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.543 ' HG2' ' CD ' ' A' ' 73' ' ' GLU . 26.5 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.531 0.205 . . . . 6.45 110.964 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.425 ' HG2' ' OE2' ' A' ' 73' ' ' GLU . 23.2 mmt -76.21 147.82 38.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.149 0.5 . . . . 4.73 110.342 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HA ' ' ND2' ' B' ' 84' ' ' ASN . 15.3 m -89.17 12.06 16.9 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.707 -0.679 . . . . 2.01 110.676 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.82 78.68 0.28 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-N 115.135 -0.938 . . . . 1.09 111.322 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' ILE . 15.3 t -74.34 166.31 23.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 1.32 109.46 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -55.11 -53.73 52.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 2.1 111.049 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.44 -36.03 77.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 1.57 111.458 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.11 -41.07 82.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.049 0.452 . . . . 1.54 110.603 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.7 mt -66.88 -52.07 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.796 -0.638 . . . . 0.44 110.195 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.72 -36.81 67.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 0.2 110.742 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 65' ' ' VAL . . . -55.43 -54.19 46.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.62 -0.718 . . . . 0.31 111.068 177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.413 HD11 ' CG ' ' A' ' 74' ' ' PHE . 89.4 mt -63.84 -37.15 86.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.478 -0.328 . . . . 0.46 110.98 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 72.5 mt -63.3 -52.38 59.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.108 -0.497 . . . . 0.27 111.006 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.9 -30.08 42.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.974 -0.29 . . . . 0.24 110.938 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.54 -43.36 90.19 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.895 -0.409 . . . . 1.59 109.895 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.537 ' CE2' HD11 ' A' ' 33' ' ' ILE . 43.4 t80 -61.85 -46.24 90.32 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.117 -0.492 . . . . 1.25 110.552 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.36 -38.3 83.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 1.22 110.376 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.5 m -63.68 -39.87 95.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 1.15 110.554 176.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.8 m -64.54 -37.42 87.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.99 111.054 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.537 HD11 ' CE2' ' A' ' 29' ' ' TYR . 63.9 mt -60.68 -48.81 87.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.242 -0.436 . . . . 0.43 111.113 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.9 -23.31 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.47 110.799 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.58 -46.51 88.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.374 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 32' ' ' SER . 20.8 ptmt -90.09 10.64 23.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.56 . . . . 2.08 110.832 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? 39.91 51.21 2.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.459 1.104 . . . . 2.6 112.304 -177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -90.21 -29.35 18.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.387 0.613 . . . . 2.12 109.812 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.495 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.3 tt -85.89 160.9 3.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.093 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.3 t -76.64 158.77 30.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.248 -0.278 . . . . 1.82 110.248 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.63 -44.87 69.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.721 0.296 . . . . 2.19 111.22 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -55.72 -52.11 65.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 2.3 110.839 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.49 -32.38 84.01 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.39 112.748 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.5 -44.25 96.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.741 0.305 . . . . 0.38 110.572 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -65.76 -38.15 88.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 1.84 110.683 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.7 m -58.35 -43.51 88.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.98 110.352 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.63 -27.8 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.41 111.315 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -68.56 -57.12 6.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.757 -0.201 . . . . 0.48 110.778 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.48 -34.81 71.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 CA-C-O 120.856 0.36 . . . . 0.36 110.488 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.615 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.5 -39.81 92.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.346 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttm -67.49 -38.11 83.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.65 110.862 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -59.92 -40.53 89.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.254 0.55 . . . . 1.99 109.741 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.27 -0.877 . . . . 1.05 111.055 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 50' ' ' ALA . 75.6 mt -58.22 -47.22 87.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.147 0.499 . . . . 0.34 109.859 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.516 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 20.0 m -62.32 -43.15 99.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.481 -0.781 . . . . 0.8 110.912 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.71 -39.16 90.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.103 -0.499 . . . . 2.66 111.014 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.36 -51.14 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.962 -0.563 . . . . 0.42 111.825 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -84.05 -13.53 52.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.032 0.382 . . . . 1.24 112.032 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.79 52.31 5.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.992 -0.623 . . . . 0.43 112.89 176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.7 p90 -150.38 166.7 29.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.585 -0.524 . . . . 1.22 109.585 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -100.2 157.62 16.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.54 -0.3 . . . . 2.33 110.341 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.717 ' O ' HG12 ' A' ' 65' ' ' VAL . 72.7 ttt180 -57.84 -57.11 14.21 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.266 -0.174 . . . . 3.67 111.366 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.72 -15.65 42.48 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 120.888 0.375 . . . . 3.2 111.403 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.79 -18.08 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.631 -0.259 . . . . 0.67 111.122 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -58.86 -33.79 50.57 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 120.86 0.362 . . . . 0.54 110.568 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -64.85 -29.99 70.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.232 0.539 . . . . 1.63 110.723 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.2 -42.86 7.31 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.783 -0.644 . . . . 0.76 111.79 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.77 -47.58 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.71 110.715 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 73.1 mt -77.32 3.7 12.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.14 110.988 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.97 -29.66 7.53 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.881 -0.888 . . . . 1.25 110.881 172.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -85.35 -43.6 13.54 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.923 0.392 . . . . 3.16 110.26 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -79.43 150.59 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 2.02 109.665 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' CD ' ' HG2' ' A' ' 14' ' ' MET . 0.3 OUTLIER -95.46 51.85 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.912 0.863 . . . . 2.64 112.006 -175.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' A' ' 25' ' ' LEU . 73.5 m-85 -100.59 15.07 29.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.753 -1.112 . . . . 1.7 108.284 167.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 50.3 mtpt -68.23 141.08 56.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.866 -1.061 . . . . 2.85 111.449 -172.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.56 0.54 90.06 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.842 -0.694 . . . . 2.42 112.286 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' CG ' ' HG3' ' B' ' 88' ' ' ARG . 29.8 mm-40 -123.5 174.69 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.224 0.535 . . . . 3.28 110.999 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -131.05 163.65 27.15 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.442 -0.947 . . . . 1.96 108.442 174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 83' ' ' LEU . 56.5 tp -55.78 -49.42 73.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.759 0.314 . . . . 0.6 111.14 -176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.92 -31.54 72.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.964 0.357 . . . . 0.63 111.964 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -66.88 -35.4 79.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.319 0.581 . . . . 2.3 109.911 176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.85 -43.5 89.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.159 -0.928 . . . . 0.61 110.718 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.3 mp -68.28 -30.82 69.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.768 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' B' ' 16' ' ' SER . 3.8 t-20 -63.78 -34.93 79.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 1.83 111.015 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -7.57 55.73 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.968 0.359 . . . . 1.5 111.968 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.37 153.07 24.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.72 0.295 . . . . 1.71 110.554 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.425 ' HA ' ' OE1' ' B' ' 73' ' ' GLU . 27.5 p -166.27 102.36 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.291 -0.413 . . . . 3.09 110.527 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HG3' ' CG ' ' B' ' 77' ' ' GLN . 32.1 mmt180 -137.01 110.55 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 5.55 111.179 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.5 t -114.46 88.33 15.57 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.145 -0.479 . . . . 3.58 110.15 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.06 71.86 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.471 2.114 . . . . 3.95 111.058 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -74.54 91.3 2.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.441 -0.8 . . . . 5.08 110.303 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.526 -0.761 . . . . 4.12 110.401 -178.103 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.536 ' HG2' ' CD ' ' B' ' 73' ' ' GLU . 26.4 ptm . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.561 0.219 . . . . 6.44 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.41 ' HG2' ' OE2' ' B' ' 73' ' ' GLU . 23.2 mmt -76.23 148.02 37.94 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 121.286 0.565 . . . . 4.73 110.367 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.48 ' HA ' ' ND2' ' A' ' 84' ' ' ASN . 15.8 m -89.54 12.11 17.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.745 -0.661 . . . . 2.01 110.57 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.7 78.62 0.28 Allowed 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.097 -0.956 . . . . 1.09 111.36 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.415 ' O ' HG13 ' B' ' 22' ' ' ILE . 16.2 t -74.35 166.16 23.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.936 -0.574 . . . . 1.33 109.48 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -54.94 -53.81 50.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.762 0.315 . . . . 2.1 111.053 -173.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.42 -35.98 77.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.447 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.11 -41.15 82.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.0 0.429 . . . . 1.54 110.596 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 26' ' ' ILE . 71.1 mt -66.88 -51.95 49.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.802 -0.635 . . . . 0.44 110.252 178.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.83 67.82 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.724 -0.671 . . . . 0.2 110.705 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' B' ' 65' ' ' VAL . . . -55.33 -54.25 45.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.642 -0.708 . . . . 0.31 111.076 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.408 HD11 ' CG ' ' B' ' 74' ' ' PHE . 89.4 mt -63.83 -37.23 86.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.486 -0.324 . . . . 0.46 111.081 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' B' ' 22' ' ' ILE . 72.4 mt -63.18 -52.39 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.995 -0.548 . . . . 0.27 111.007 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -69.96 -29.99 42.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 121.01 -0.276 . . . . 0.23 110.945 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.54 -43.64 89.31 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.705 -0.48 . . . . 1.58 109.705 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.538 ' CE2' HD11 ' B' ' 33' ' ' ILE . 43.3 t80 -61.69 -46.3 90.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 1.25 110.534 177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -60.24 -38.47 83.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.8 0.334 . . . . 1.22 110.357 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 61.2 m -63.43 -40.24 96.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 1.15 110.414 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.425 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 24.7 m -64.37 -37.41 87.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.538 -0.301 . . . . 0.99 110.981 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.538 HD11 ' CE2' ' B' ' 29' ' ' TYR . 63.9 mt -60.75 -48.82 87.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-N 116.3 -0.409 . . . . 0.44 111.102 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.71 -23.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.47 110.854 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.4 -46.46 88.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 2.22 110.474 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 32' ' ' SER . 20.7 ptmt -90.0 10.56 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.572 . . . . 2.08 110.896 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 39.98 51.23 2.54 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 114.678 -1.146 . . . . 2.6 112.297 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -90.29 -29.15 18.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.381 0.61 . . . . 2.11 109.806 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.488 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.3 tt -86.23 160.95 3.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.156 -0.929 . . . . 0.52 110.095 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.9 t -76.65 158.73 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.105 -0.331 . . . . 1.82 110.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -53.71 -44.97 70.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.688 0.28 . . . . 2.19 111.128 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -55.67 -52.23 64.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.052 -0.522 . . . . 2.29 110.8 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.38 -32.4 84.06 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.39 112.681 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.11 97.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.766 0.317 . . . . 0.38 110.618 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -65.88 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 1.84 110.627 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 11.9 m -58.5 -43.47 89.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.98 110.243 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.7 -27.77 68.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.41 111.372 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -68.44 -57.29 6.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.646 -0.252 . . . . 0.48 110.74 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.46 -34.78 71.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.89 0.376 . . . . 0.36 110.51 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.625 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.56 -39.71 92.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.37 110.244 176.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 9.1 ttm -67.63 -38.2 83.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 0.65 110.776 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -60.03 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 1.99 109.755 174.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.9 m -69.95 -42.76 72.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.266 -0.879 . . . . 1.05 111.071 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.625 HG13 ' O ' ' B' ' 50' ' ' ALA . 76.0 mt -58.2 -47.23 87.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 121.243 0.544 . . . . 0.33 109.933 176.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.519 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.9 m -62.31 -43.03 99.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.811 . . . . 0.8 110.989 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.9 -39.08 90.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 2.66 110.934 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.32 -51.17 55.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.977 -0.556 . . . . 0.41 111.814 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -84.08 -13.56 52.73 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.022 0.379 . . . . 1.24 112.022 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.95 52.09 5.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.912 -0.661 . . . . 0.42 112.891 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.519 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.7 p90 -150.29 166.6 29.47 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.691 -0.485 . . . . 1.23 109.691 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -100.18 157.81 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.244 -0.28 . . . . 2.33 110.244 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.726 ' O ' HG12 ' B' ' 65' ' ' VAL . 72.6 ttt180 -57.87 -57.18 13.89 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 121.327 -0.149 . . . . 3.67 111.351 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -61.63 -15.49 40.07 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.929 0.395 . . . . 3.19 111.503 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.0 64.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.575 -0.284 . . . . 0.66 111.157 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.726 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -58.87 -33.99 51.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 0.53 110.58 177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.3 m -64.59 -30.32 71.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.006 -0.543 . . . . 1.63 110.695 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.0 -42.74 7.46 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.115 -0.564 . . . . 0.74 111.846 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.81 -47.39 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.7 110.633 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 72.5 mt -77.24 3.37 13.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 1.13 110.958 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -29.66 7.56 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.803 -0.919 . . . . 1.24 110.803 173.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -85.32 -43.65 13.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 3.15 110.282 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -79.52 150.66 31.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.93 -0.577 . . . . 2.02 109.608 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.536 ' CD ' ' HG2' ' B' ' 14' ' ' MET . 0.3 OUTLIER -95.63 51.95 1.32 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.886 0.85 . . . . 2.64 111.972 -175.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.408 ' CG ' HD11 ' B' ' 25' ' ' LEU . 73.3 m-85 -100.57 14.9 29.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.678 -1.146 . . . . 1.7 108.266 167.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 69' ' ' LEU . 50.4 mtpt -68.19 141.19 56.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.863 -1.062 . . . . 2.85 111.333 -172.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.75 0.33 90.04 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.904 -0.665 . . . . 2.43 112.323 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.545 ' CG ' ' HG3' ' A' ' 88' ' ' ARG . 28.6 mm-40 -123.54 174.66 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.296 0.569 . . . . 3.28 110.871 -179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -130.82 163.71 26.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.423 -0.954 . . . . 1.95 108.423 174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 83' ' ' LEU . 56.6 tp -55.75 -49.48 72.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.709 0.29 . . . . 0.6 111.084 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.934 0.346 . . . . 0.63 111.934 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.41 -35.77 81.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.361 0.601 . . . . 2.3 109.869 176.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.59 -43.56 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.274 -0.876 . . . . 0.61 110.616 176.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.4 mp -68.27 -30.88 70.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.972 -0.558 . . . . 0.83 110.759 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 16' ' ' SER . 3.7 t-20 -63.68 -34.96 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 1.83 110.99 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 4.6 p -77.96 -4.86 49.1 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.912 0.338 . . . . 1.5 111.912 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.24 152.93 22.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 1.7 110.37 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.437 ' HA ' ' OE1' ' A' ' 73' ' ' GLU . 29.0 p -165.97 102.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.164 -0.471 . . . . 3.09 110.407 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.524 ' HG3' ' CG ' ' A' ' 77' ' ' GLN . 32.2 mmt180 -137.1 110.5 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 5.55 111.228 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 28.0 t -114.37 88.19 15.09 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.127 -0.488 . . . . 3.58 110.216 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.02 71.72 6.52 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.49 2.127 . . . . 3.95 111.147 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -74.5 91.01 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.44 -0.8 . . . . 5.08 110.38 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.454 -0.794 . . . . 4.13 110.495 -178.01 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 73.3 mtm . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.53 -0.174 . . . . 6.45 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 59.2 mtm 63.97 -70.18 0.08 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.988 0.915 . . . . 4.73 110.685 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 p -76.56 89.24 3.29 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.038 -0.726 . . . . 2.01 109.038 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.22 104.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.056 0.848 . . . . 1.09 111.802 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 22' ' ' ILE . 34.2 p -80.21 173.77 12.27 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.735 -0.666 . . . . 1.32 110.488 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.05 -48.64 70.34 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.396 -0.366 . . . . 2.1 111.629 -175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.39 -34.63 76.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.582 -0.281 . . . . 1.57 111.333 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' A' ' 72' ' ' SER . 51.5 mt-10 -67.51 -44.27 78.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 1.54 110.768 -178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 mt -65.06 -50.26 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.939 -0.573 . . . . 0.44 110.497 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.76 73.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.2 110.867 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.6 89.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.31 111.174 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.96 -33.46 61.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.381 -0.372 . . . . 0.46 110.852 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 22' ' ' ILE . 76.9 mt -63.86 -50.91 75.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.27 110.997 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.423 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 33.0 m -67.46 -30.18 48.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.844 0.354 . . . . 0.24 110.359 178.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -64.33 -42.44 96.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 1.59 109.554 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 37.1 t80 -62.65 -51.85 65.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.006 -0.543 . . . . 1.25 110.877 178.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.87 -41.66 98.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.59 -0.277 . . . . 1.22 111.652 -177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 p -67.94 -31.85 71.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.746 0.308 . . . . 1.15 110.694 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.2 t -66.37 -41.4 89.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.99 110.025 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.8 mt -56.68 -50.89 72.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.95 -0.568 . . . . 0.43 111.058 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.5 m -73.11 -27.41 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.469 -0.332 . . . . 0.47 111.277 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.83 -44.39 93.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.136 0.494 . . . . 2.22 110.83 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -94.83 4.75 53.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 2.08 110.881 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt 52.87 55.93 8.3 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 114.991 -1.004 . . . . 2.6 110.886 -176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -88.66 -8.65 54.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.254 1.025 . . . . 2.12 108.363 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.1 tt -122.99 153.27 28.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.739 -1.119 . . . . 0.51 110.555 -178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 m -67.82 141.98 56.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.207 -0.451 . . . . 1.82 109.881 175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.46 -25.04 59.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.398 -0.819 . . . . 2.19 112.429 -172.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -70.77 -38.61 73.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.006 0.431 . . . . 2.3 110.199 176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.97 -27.74 57.82 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.444 -0.662 . . . . 0.39 111.444 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.44 98.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.981 0.419 . . . . 0.38 110.438 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.99 -40.37 93.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.525 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 m -61.94 -38.36 88.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.901 -0.59 . . . . 0.98 110.499 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.86 -23.98 62.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.504 -0.316 . . . . 0.41 111.09 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.18 -52.72 31.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.597 0.237 . . . . 0.48 110.733 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.32 -36.03 76.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.964 0.411 . . . . 0.36 110.242 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.98 -35.17 80.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.37 110.637 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.423 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 21.6 tpp -54.42 -50.0 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.988 -0.551 . . . . 0.65 111.037 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.953 -0.567 . . . . 1.99 110.462 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.4 m -63.47 -45.93 88.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.179 -0.464 . . . . 1.05 111.05 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.4 mt -60.72 -50.12 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.164 0.507 . . . . 0.34 110.06 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 20.3 m -60.74 -48.14 83.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.489 -0.778 . . . . 0.8 110.933 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.39 -37.52 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 2.66 111.143 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.9 -34.35 75.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.659 . . . . 0.42 111.715 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.409 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 65.9 m-85 -100.79 -2.24 32.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.812 0.339 . . . . 1.24 111.616 -177.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.71 41.76 8.71 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.837 -0.696 . . . . 0.43 113.454 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 55' ' ' SER . 45.1 p90 -145.34 161.52 39.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.901 0.35 . . . . 1.22 110.108 174.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -101.2 169.19 9.08 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.019 -0.363 . . . . 2.33 110.019 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.666 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.4 mtt180 -53.11 -47.27 68.73 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.649 0.261 . . . . 3.67 111.572 -177.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.07 -13.41 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.729 0.27 . . . . 3.2 111.729 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.61 -17.41 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.708 -0.224 . . . . 0.67 111.581 -176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 62' ' ' ARG . 12.7 p -62.71 -29.41 46.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.042 0.448 . . . . 0.54 110.297 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.8 m -62.15 -39.29 92.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.799 -0.637 . . . . 1.63 110.288 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.91 -39.86 53.53 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.85 -0.69 . . . . 0.76 111.91 177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.5 mt -59.19 -53.85 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.237 -0.282 . . . . 0.71 110.237 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.8 -3.11 17.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 1.14 111.443 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.57 -34.01 29.56 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.687 -0.768 . . . . 1.25 111.229 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.32 -39.42 10.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.219 -0.289 . . . . 3.16 110.219 178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' A' ' 21' ' ' GLU . 31.0 m -61.3 141.89 57.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 2.02 110.022 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' B' ' 88' ' ' ARG . 12.7 pt-20 -85.48 0.55 52.01 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.071 -0.513 . . . . 2.64 111.36 -175.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -82.1 56.84 3.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.509 0.671 . . . . 1.7 110.211 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -112.42 148.78 33.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.331 -0.85 . . . . 2.85 109.87 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.6 -66.28 3.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.695 -0.764 . . . . 2.42 111.363 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.51 138.88 55.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.047 0.451 . . . . 3.28 110.577 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.33 161.97 14.02 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.975 -0.75 . . . . 1.96 108.975 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 58.8 tp -52.61 -49.81 64.33 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.55 0.574 . . . . 0.6 112.55 -171.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.417 ' HB2' ' CD1' ' B' ' 22' ' ' ILE . . . -69.69 -27.24 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.122 0.415 . . . . 0.63 112.122 -174.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.13 -36.37 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.236 -0.653 . . . . 2.3 109.236 176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 77.1 mt -61.11 -49.58 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.104 -0.953 . . . . 0.61 110.203 174.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.9 mp -64.72 -32.33 73.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 0.83 110.821 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -67.26 -21.64 65.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 1.83 110.601 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.5 m -82.05 -10.41 59.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.082 -0.508 . . . . 1.5 110.745 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.41 175.3 10.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 1.71 110.388 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.2 m -148.6 135.87 20.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.952 0.406 . . . . 3.09 110.698 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' B' ' 73' ' ' GLU . 16.3 ptt180 -75.03 141.41 43.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 5.55 110.758 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.5 t -121.48 79.77 37.84 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 121.153 0.502 . . . . 3.58 109.691 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -92.61 176.98 1.6 Allowed 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.148 2.566 . . . . 3.95 112.298 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 58.37 36.47 25.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.621 . . . . 5.08 110.912 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.356 -0.83 . . . . 4.12 109.139 179.584 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.547 -0.168 . . . . 6.44 110.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 59.0 mtm 64.18 -70.38 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.864 0.866 . . . . 4.73 110.703 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -76.53 89.47 3.28 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.971 -0.751 . . . . 2.01 108.971 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.49 104.85 0.05 OUTLIER 'General case' 0 C--O 1.235 0.293 0 O-C-N 124.002 0.814 . . . . 1.09 111.725 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.421 ' O ' HG13 ' B' ' 22' ' ' ILE . 32.4 p -80.33 173.97 12.07 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.567 -0.742 . . . . 1.33 110.414 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -54.31 -48.66 71.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.347 -0.388 . . . . 2.1 111.494 -175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.36 -34.5 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.627 -0.261 . . . . 1.58 111.399 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.517 ' HG2' ' OG ' ' B' ' 72' ' ' SER . 51.5 mt-10 -67.56 -44.11 79.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.968 0.413 . . . . 1.54 110.874 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.462 ' O ' HG13 ' B' ' 26' ' ' ILE . 61.0 mt -65.17 -50.38 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.934 -0.575 . . . . 0.44 110.437 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.68 72.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.991 -0.549 . . . . 0.2 110.897 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.66 90.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 0.31 111.188 178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -33.59 62.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.38 -0.373 . . . . 0.46 110.918 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.79 -50.88 75.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.27 111.026 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.427 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 33.0 m -67.47 -30.3 48.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.23 110.281 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -64.22 -42.36 96.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 1.58 109.664 176.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.507 ' O ' HG13 ' B' ' 33' ' ' ILE . 37.2 t80 -62.68 -51.84 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 1.25 110.914 178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.458 -0.337 . . . . 1.22 111.648 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.3 p -67.81 -31.98 72.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.339 . . . . 1.15 110.733 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.5 t -66.24 -41.44 90.0 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.984 -0.376 . . . . 0.99 109.984 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 61.9 mt -56.53 -50.9 71.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.97 -0.559 . . . . 0.44 111.08 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.21 -27.36 24.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.47 111.32 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.02 -44.14 93.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.05 0.452 . . . . 2.22 110.82 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -94.82 4.45 53.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.158 0.504 . . . . 2.08 110.927 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt 53.02 55.89 8.3 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 114.96 -1.018 . . . . 2.6 110.868 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -88.56 -8.6 54.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.257 1.027 . . . . 2.11 108.338 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 17.1 tt -122.94 153.15 27.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 CA-C-N 114.711 -1.131 . . . . 0.52 110.528 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 42.8 m -67.59 142.0 56.61 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.139 -0.482 . . . . 1.82 109.88 175.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.73 -24.94 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.364 -0.835 . . . . 2.19 112.518 -172.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -70.82 -38.9 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 2.29 110.034 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.61 -27.62 58.78 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 111.47 -0.652 . . . . 0.39 111.47 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.4 98.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.38 110.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.02 -40.51 93.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.758 -0.656 . . . . 1.84 110.577 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -61.7 -38.52 88.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 0.98 110.472 177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.93 -23.84 62.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.41 111.245 178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.06 -53.01 28.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.673 0.273 . . . . 0.48 110.67 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -36.0 76.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.932 0.396 . . . . 0.36 110.226 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.518 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.06 -35.02 79.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.37 110.649 177.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.427 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 21.9 tpp -54.55 -50.17 68.56 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.958 -0.564 . . . . 0.65 110.992 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -67.75 -36.24 80.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.589 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 79.1 m -63.64 -45.89 88.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.236 -0.438 . . . . 1.05 111.072 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 50' ' ' ALA . 64.8 mt -60.76 -50.18 81.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.185 0.517 . . . . 0.33 110.034 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 20.4 m -60.65 -48.08 83.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.378 -0.828 . . . . 0.8 110.907 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.5 -37.48 81.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 2.66 111.119 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.9 -34.4 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.71 -0.677 . . . . 0.41 111.769 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 66.2 m-85 -100.62 -2.29 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 1.24 111.56 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.73 42.14 8.47 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.475 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 45.1 p90 -145.76 161.6 39.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.923 0.362 . . . . 1.23 110.076 174.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.25 169.16 9.09 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.048 -0.353 . . . . 2.33 110.048 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.658 ' O ' HG12 ' B' ' 65' ' ' VAL . 88.3 mtt180 -53.21 -47.05 69.24 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.681 0.277 . . . . 3.67 111.577 -176.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.26 -13.31 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.756 0.312 . . . . 3.19 111.721 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.78 -17.29 51.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.607 -0.27 . . . . 0.66 111.628 -176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.658 HG12 ' O ' ' B' ' 62' ' ' ARG . 12.7 p -62.77 -29.38 46.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.002 0.43 . . . . 0.53 110.319 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.6 m -62.29 -39.01 91.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.869 -0.605 . . . . 1.63 110.375 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.1 -39.9 52.19 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.936 -0.65 . . . . 0.74 111.744 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.4 mt -59.29 -53.61 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 110.28 -0.267 . . . . 0.7 110.28 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.1 mt -70.85 -3.24 18.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 1.13 111.526 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.32 -34.26 29.71 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.16 -0.776 . . . . 1.24 111.16 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -95.06 -39.51 10.11 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.221 -0.289 . . . . 3.15 110.221 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.517 ' OG ' ' HG2' ' B' ' 21' ' ' GLU . 31.0 m -61.35 142.12 57.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.08 0.466 . . . . 2.02 110.036 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 88' ' ' ARG . 12.8 pt-20 -85.81 0.65 52.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 2.64 111.28 -175.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -82.13 56.84 3.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.519 0.676 . . . . 1.7 110.242 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -112.36 148.89 33.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.274 -0.875 . . . . 2.85 109.89 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.46 -66.14 3.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 2.43 111.412 -176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.62 138.81 55.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 3.28 110.694 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.38 161.93 14.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.922 -0.77 . . . . 1.95 108.922 175.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 58.9 tp -52.64 -49.85 64.34 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.495 0.554 . . . . 0.6 112.495 -171.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.57 -27.34 65.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.07 0.396 . . . . 0.63 112.07 -174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.436 0.636 . . . . 2.3 109.306 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 77.0 mt -61.04 -49.67 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.132 -0.94 . . . . 0.61 110.23 174.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.401 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.9 mp -64.64 -32.39 74.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.83 110.877 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -67.14 -21.68 65.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.116 0.484 . . . . 1.83 110.62 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.9 m -82.29 -10.04 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.851 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.6 175.35 10.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.39 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 53.9 m -148.58 136.0 20.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.751 0.31 . . . . 3.09 110.658 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 73' ' ' GLU . 16.3 ptt180 -75.25 141.44 43.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 5.55 110.798 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 38.4 t -121.57 79.87 38.69 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.715 -0.476 . . . . 3.58 109.715 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -92.79 176.85 1.55 Allowed 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 123.161 2.574 . . . . 3.95 112.138 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 58.51 36.4 25.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 5.08 110.935 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.324 -0.846 . . . . 4.13 109.183 179.523 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' B' ' 84' ' ' ASN . 87.5 mtp . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.857 0.36 . . . . 6.45 110.751 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.0 mtt -70.81 -79.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 4.73 110.916 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -145.57 168.61 20.22 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 121.039 0.447 . . . . 2.01 110.102 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.2 73.51 1.52 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.315 -0.857 . . . . 1.09 109.311 175.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 t -72.54 157.43 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.59 -0.732 . . . . 1.32 110.365 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.2 -48.77 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.479 -0.328 . . . . 2.1 111.568 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.04 -38.13 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.03 -0.532 . . . . 1.57 111.457 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.37 -39.16 81.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.249 0.547 . . . . 1.54 110.376 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.5 mt -65.22 -51.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.481 -0.781 . . . . 0.44 110.389 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.93 -33.74 70.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.647 -0.706 . . . . 0.2 111.113 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.86 -45.14 86.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.794 -0.639 . . . . 0.31 111.114 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.508 ' HB3' HD13 ' A' ' 79' ' ' LEU . 36.6 mt -73.5 -34.46 65.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.668 0.271 . . . . 0.46 111.128 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -61.56 -50.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.655 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.28 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.24 110.41 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.3 -49.52 77.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.039 -0.528 . . . . 1.59 110.649 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.7 t80 -62.37 -46.59 87.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 1.25 110.888 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.81 -42.75 99.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.618 0.247 . . . . 1.22 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -64.47 -34.47 78.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.064 0.459 . . . . 1.15 109.958 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -65.48 -40.15 92.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.758 -0.655 . . . . 0.99 110.691 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.64 HG13 ' O ' ' A' ' 29' ' ' TYR . 53.1 mt -59.35 -49.17 84.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.862 0.363 . . . . 0.43 110.86 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.93 -26.49 19.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.47 110.9 -177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.31 -46.84 78.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 2.22 110.424 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 14.5 ptmm? -87.97 5.56 40.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.217 0.532 . . . . 2.08 110.811 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.17 52.95 10.79 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.938 -1.028 . . . . 2.6 110.804 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 42.5 tt0 -98.57 -13.44 20.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.697 -0.683 . . . . 2.12 110.349 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.473 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.2 tt -112.52 151.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.655 -0.702 . . . . 0.51 110.608 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.0 m -68.79 153.57 43.55 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.009 -0.542 . . . . 1.82 110.485 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -49.98 -50.5 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.232 0.456 . . . . 2.19 112.232 -173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.18 -36.73 78.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 2.3 111.378 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.02 -35.97 72.23 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.815 -0.707 . . . . 0.39 111.783 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.75 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.889 0.376 . . . . 0.38 110.734 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -64.11 -31.85 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.617 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 t -67.15 -40.62 86.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.63 . . . . 0.98 109.841 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.33 -30.19 70.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.41 111.045 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -60.18 -58.66 7.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.492 -0.322 . . . . 0.48 110.995 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.31 -37.34 77.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.04 0.447 . . . . 0.36 110.436 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -65.15 -36.99 85.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.942 -0.572 . . . . 0.37 111.249 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' A' ' 54' ' ' ILE . 27.8 ttm -71.33 -38.42 71.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.352 -0.385 . . . . 0.65 111.902 -173.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -67.45 -29.1 68.47 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.393 -0.523 . . . . 1.99 109.62 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.7 -41.28 75.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.595 . . . . 1.05 110.296 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.9 mt -57.62 -49.04 81.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.37 0.605 . . . . 0.34 109.491 174.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 16.9 m -59.17 -45.14 91.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 0.8 110.713 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.4 -40.87 98.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.205 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.59 74.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.913 -0.585 . . . . 0.42 112.129 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -103.3 -8.18 20.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 1.24 111.684 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.97 38.38 19.52 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.037 -0.601 . . . . 0.43 113.462 174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 10.8 p90 -136.82 177.11 8.11 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.808 -0.441 . . . . 1.22 109.808 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -119.53 154.46 33.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.836 0.35 . . . . 2.33 110.293 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -61.2 -17.82 55.09 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.847 -0.615 . . . . 3.67 112.123 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -88.15 -4.15 58.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.751 0.31 . . . . 3.2 110.99 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.91 0.27 25.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.488 -0.323 . . . . 0.67 111.501 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.42 76.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.54 111.534 -177.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.0 m -66.5 -36.13 81.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.969 0.414 . . . . 1.63 110.836 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.4 -37.6 92.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.972 -0.633 . . . . 0.76 112.034 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.1 mt -71.42 -48.51 53.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.781 0.324 . . . . 0.71 110.596 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.66 -37.96 89.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 1.14 111.231 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.61 -29.22 74.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.924 -0.655 . . . . 1.25 112.849 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.95 -33.39 19.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 3.16 110.836 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.5 p -82.61 175.35 10.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 2.02 111.127 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -84.95 26.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.117 0.484 . . . . 2.64 110.377 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -112.97 7.0 18.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.459 0.647 . . . . 1.7 109.58 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.21 121.16 12.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.017 -0.992 . . . . 2.85 110.626 177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.6 0.03 89.76 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.844 -0.616 . . . . 2.42 112.698 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -104.12 138.06 41.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.163 0.506 . . . . 3.28 111.551 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.16 129.97 38.99 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.158 -1.053 . . . . 1.96 108.158 174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 25' ' ' LEU . 63.7 tp -43.43 -50.47 6.93 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.033 0.753 . . . . 0.6 113.033 -172.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.13 -30.61 71.66 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.36 0.504 . . . . 0.63 112.36 -174.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.77 -40.96 98.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.37 0.605 . . . . 2.3 109.523 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.6 mt -62.85 -41.57 93.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.798 -1.092 . . . . 0.61 110.844 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.074 -0.512 . . . . 0.83 110.801 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' B' ' 14' ' ' MET . 3.4 t-20 -68.96 -29.77 68.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.517 -0.31 . . . . 1.83 110.83 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -76.69 -7.87 56.16 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.853 0.316 . . . . 1.5 111.853 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.52 161.89 28.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.687 0.279 . . . . 1.71 110.303 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -158.35 145.41 17.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.823 0.344 . . . . 3.09 110.761 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -142.19 162.59 35.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 5.55 109.594 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -99.74 107.6 46.94 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.349 -0.387 . . . . 3.58 110.161 178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.58 66.04 8.58 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.849 2.366 . . . . 3.95 111.699 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.49 137.27 28.4 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.257 -0.883 . . . . 5.08 110.047 -176.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.56 -0.733 . . . . 4.12 110.094 178.222 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.466 ' HA ' ' O ' ' A' ' 84' ' ' ASN . 87.3 mtp . . . . . 0 N--CA 1.478 0.95 0 CA-C-O 120.704 0.288 . . . . 6.44 110.704 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtt -70.67 -79.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 4.73 110.801 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 m -145.68 168.69 20.09 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 2.01 110.056 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.27 73.55 1.52 Allowed 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.432 -0.804 . . . . 1.09 109.334 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.4 t -72.5 157.29 37.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.548 -0.751 . . . . 1.33 110.519 -176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -52.07 -48.92 64.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.26 0.35 . . . . 2.1 111.556 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.99 -38.04 78.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 1.58 111.539 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -68.36 -39.2 81.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.267 0.556 . . . . 1.54 110.381 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.418 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.2 mt -65.32 -50.96 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.426 -0.806 . . . . 0.44 110.325 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.94 71.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.683 -0.689 . . . . 0.2 111.046 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.67 -45.41 85.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.825 -0.625 . . . . 0.31 111.155 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' B' ' 79' ' ' LEU . 37.3 mt -73.1 -34.57 66.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.734 0.302 . . . . 0.46 111.268 178.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -61.44 -50.48 80.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 0.27 110.611 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.29 -29.44 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.771 0.32 . . . . 0.23 110.389 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.32 -49.54 77.2 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.039 -0.528 . . . . 1.58 110.57 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.642 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.5 t80 -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.412 -0.358 . . . . 1.25 110.839 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -61.75 -42.72 99.34 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.152 -0.219 . . . . 1.22 110.916 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -64.51 -34.59 78.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.233 0.539 . . . . 1.15 109.938 177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.6 t -65.29 -40.2 93.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.721 -0.672 . . . . 0.99 110.72 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.642 HG13 ' O ' ' B' ' 29' ' ' TYR . 53.0 mt -59.3 -49.13 84.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.863 0.363 . . . . 0.44 110.899 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.92 -26.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.249 -0.432 . . . . 0.47 110.924 -177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.15 -47.06 78.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 2.22 110.434 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' B' ' 38' ' ' GLU . 14.5 ptmm? -87.81 5.64 39.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.154 0.502 . . . . 2.08 110.833 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.0 tttm 55.13 53.02 10.74 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.954 -1.021 . . . . 2.6 110.814 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' B' ' 36' ' ' LYS . 42.7 tt0 -98.69 -13.47 20.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.738 -0.665 . . . . 2.11 110.388 -175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.479 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -112.47 151.83 14.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.722 -0.672 . . . . 0.52 110.497 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 10.3 m -68.87 153.52 43.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.001 -0.545 . . . . 1.82 110.517 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -49.98 -50.58 46.44 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.182 0.438 . . . . 2.19 112.182 -173.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.1 -36.55 77.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 2.29 111.41 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.3 -36.12 70.16 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.761 -0.733 . . . . 0.39 111.768 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.36 -48.55 79.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.38 110.704 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -64.37 -31.67 72.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.679 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -67.3 -40.62 86.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.791 -0.64 . . . . 0.98 109.777 178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 67.4 mt -66.3 -30.12 70.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.03 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -60.25 -58.5 8.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.432 -0.349 . . . . 0.48 110.982 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.56 -37.29 77.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 121.006 0.432 . . . . 0.36 110.417 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.635 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -65.0 -37.01 86.26 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.988 -0.551 . . . . 0.37 111.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.435 ' HA ' HD12 ' B' ' 54' ' ' ILE . 27.8 ttm -71.4 -38.32 71.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.65 111.941 -173.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -67.23 -29.4 69.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 175.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 82.0 m -69.65 -41.37 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.05 110.194 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.635 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.5 mt -57.55 -49.07 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.479 0.656 . . . . 0.33 109.524 174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 16.7 m -59.2 -45.15 91.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.064 -0.971 . . . . 0.8 110.663 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.32 -40.96 98.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 2.66 111.173 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.62 74.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 0.41 112.072 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.34 -8.17 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.766 0.317 . . . . 1.24 111.693 -177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 38.15 19.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.029 -0.605 . . . . 0.42 113.475 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 10.8 p90 -136.59 177.03 8.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.79 -0.448 . . . . 1.23 109.79 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -119.59 154.41 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.469 -0.332 . . . . 2.33 110.244 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -61.77 -16.93 53.75 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.895 -0.593 . . . . 3.67 112.103 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.68 -4.04 58.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.846 0.355 . . . . 3.19 110.997 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.97 0.46 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.66 111.427 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -60.04 -38.47 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.341 -0.391 . . . . 0.53 111.477 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -66.48 -36.15 82.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 1.63 110.834 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.79 93.13 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.909 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.5 mt -71.23 -48.46 54.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.783 0.325 . . . . 0.7 110.572 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.69 -37.85 88.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.371 -0.377 . . . . 1.13 111.149 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.6 -29.52 75.34 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.96 -0.638 . . . . 1.24 112.755 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -86.56 -33.55 20.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.0 0.428 . . . . 3.15 110.898 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -82.63 175.05 10.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.079 -0.51 . . . . 2.02 111.183 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.7 26.86 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 2.64 110.372 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -113.02 7.09 17.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.344 0.592 . . . . 1.7 109.573 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.32 121.29 13.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.016 -0.993 . . . . 2.85 110.528 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.56 -0.15 89.71 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.697 -0.683 . . . . 2.43 112.857 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -103.9 138.04 41.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.212 0.529 . . . . 3.28 111.657 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -93.26 130.04 39.11 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.183 -1.043 . . . . 1.95 108.183 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' B' ' 25' ' ' LEU . 63.7 tp -43.6 -50.36 7.36 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.038 0.755 . . . . 0.6 113.038 -172.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.66 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.331 0.493 . . . . 0.63 112.331 -174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -62.67 -41.15 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.423 0.63 . . . . 2.3 109.53 177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.8 mt -62.72 -41.37 92.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.794 -1.094 . . . . 0.61 111.022 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.53 -31.58 67.21 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.974 -0.557 . . . . 0.83 110.795 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.475 ' O ' ' HA ' ' A' ' 14' ' ' MET . 3.5 t-20 -68.84 -29.74 68.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.565 -0.289 . . . . 1.83 110.699 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 2.4 p -77.69 -5.8 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.755 0.28 . . . . 1.5 111.755 178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.92 161.93 27.19 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.108 -0.33 . . . . 1.7 110.108 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.6 t -158.36 145.41 17.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.715 0.293 . . . . 3.09 110.769 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -142.22 162.65 34.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.909 -0.587 . . . . 5.55 109.651 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 64.5 t -99.88 107.62 47.45 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.36 -0.382 . . . . 3.58 110.184 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.61 65.85 8.61 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.766 2.31 . . . . 3.95 111.764 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.24 137.06 28.66 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.245 -0.889 . . . . 5.08 110.058 -176.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 15.1 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.815 -0.612 . . . . 4.13 110.205 178.191 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.471 ' SD ' ' HB2' ' B' ' 87' ' ' SER . 66.0 mtt . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.573 0.225 . . . . 6.45 110.579 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' A' ' 16' ' ' SER . 0.8 OUTLIER -91.87 -40.86 10.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.807 0.337 . . . . 4.73 111.28 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' A' ' 15' ' ' MET . 59.8 m 72.2 -9.75 0.98 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.758 0.823 . . . . 2.01 111.546 -176.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 15' ' ' MET . . . 62.85 75.53 0.4 Allowed 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.55 -0.75 . . . . 1.09 111.191 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 m -80.16 163.24 24.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.007 -0.542 . . . . 1.32 109.851 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' B' ' 38' ' ' GLU . 64.8 mttp -52.64 -54.8 28.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.237 0.336 . . . . 2.1 111.805 -175.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.94 -34.78 76.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.442 -0.344 . . . . 1.57 111.691 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.7 -43.43 76.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.277 0.56 . . . . 1.54 110.47 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.3 mt -67.18 -46.77 83.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.409 -0.814 . . . . 0.44 110.441 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.71 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.781 -0.645 . . . . 0.2 110.827 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.23 85.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.31 110.928 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' ' 74' ' ' PHE . 97.9 mt -74.22 -35.9 63.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.713 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 22' ' ' ILE . 74.7 mt -63.87 -48.68 85.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.822 -0.627 . . . . 0.27 110.924 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.3 -32.73 56.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 121.014 -0.275 . . . . 0.24 110.639 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -62.08 -43.12 99.52 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.945 0.402 . . . . 1.59 110.098 175.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.6 t80 -58.55 -53.75 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.816 -0.629 . . . . 1.25 110.874 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.502 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.7 m-85 -61.24 -42.74 99.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.373 -0.376 . . . . 1.22 110.741 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 t -60.84 -39.71 90.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.1 -0.5 . . . . 1.15 110.469 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 10.2 t -73.85 -21.76 60.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.62 -0.264 . . . . 0.99 110.938 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 29' ' ' TYR . 60.4 mt -67.97 -52.56 37.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.926 0.394 . . . . 0.43 110.043 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.2 m -72.14 -25.25 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.996 -0.547 . . . . 0.47 110.295 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -53.63 -50.91 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 2.22 111.066 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 32' ' ' SER . 18.3 pttm -104.76 25.64 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.256 -0.429 . . . . 2.08 111.457 -178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.87 62.01 1.34 Allowed 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 114.822 -1.081 . . . . 2.6 112.804 -178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' HE2' ' B' ' 19' ' ' LYS . 22.1 mm-40 -97.28 -2.78 41.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.603 -0.726 . . . . 2.12 110.05 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.408 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.3 tt -131.84 155.08 41.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.313 -0.858 . . . . 0.51 109.539 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -81.23 169.06 17.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.679 0.276 . . . . 1.82 110.89 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 1.5 mp0 -51.39 -57.29 9.34 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.516 0.726 . . . . 2.19 112.17 -173.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.72 -35.02 78.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 2.3 111.251 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.5 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -64.68 -41.18 97.83 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.727 -0.749 . . . . 0.39 111.663 176.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -38.55 75.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.077 0.465 . . . . 0.38 110.324 176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -57.25 -46.01 83.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.422 -0.808 . . . . 1.84 111.35 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.2 p -70.54 -35.29 73.05 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.928 -0.309 . . . . 0.98 110.538 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 71.9 mt -64.39 -25.54 68.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.645 0.259 . . . . 0.41 110.81 176.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.91 -50.91 60.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.604 -0.271 . . . . 0.48 111.172 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.02 -34.12 68.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.012 0.434 . . . . 0.36 110.106 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.5 -28.6 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.066 -0.515 . . . . 0.37 110.541 176.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.502 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 14.4 tpp -66.02 -48.42 71.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.19 0.519 . . . . 0.65 110.402 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.59 -35.35 80.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.595 -0.729 . . . . 1.99 109.805 176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.04 -60.93 2.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.646 -0.706 . . . . 1.05 111.251 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 50' ' ' ALA . 62.2 mt -54.71 -44.96 72.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.976 0.417 . . . . 0.34 110.753 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -60.98 -53.32 58.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.918 -0.583 . . . . 0.8 110.926 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.26 -45.24 81.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 2.66 111.575 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.72 95.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.446 -0.343 . . . . 0.42 111.736 -176.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -84.1 -20.35 32.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.792 0.33 . . . . 1.24 111.37 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 37.55 6.32 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.851 -0.69 . . . . 0.43 113.219 174.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.21 158.56 44.12 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.865 -0.42 . . . . 1.22 109.865 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -91.29 142.96 27.14 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.05 0.452 . . . . 2.33 110.392 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttp180 -63.83 -20.3 65.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.606 -0.725 . . . . 3.67 110.876 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -88.41 -2.62 58.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 3.2 110.923 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.24 2.85 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.591 -0.277 . . . . 0.67 111.559 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -61.5 -39.07 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.309 -0.405 . . . . 0.54 111.783 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.6 t -66.51 -33.14 75.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.945 0.403 . . . . 1.63 110.432 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.92 -46.38 82.18 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.921 -0.657 . . . . 0.76 111.733 176.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.07 -47.32 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.71 110.429 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . 92.9 mt -67.34 -21.13 65.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.14 111.586 -178.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.19 -29.29 28.4 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.885 -0.674 . . . . 1.25 112.097 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 67' ' ' GLY . 97.5 mttt -76.74 -47.22 22.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.389 . . . . 3.16 110.289 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 m -75.74 154.0 36.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.982 -0.554 . . . . 2.02 110.619 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -76.03 20.34 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.553 -0.294 . . . . 2.64 111.791 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.402 ' CG ' HD11 ' A' ' 25' ' ' LEU . 60.6 m-85 -81.89 -17.42 47.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.861 -0.422 . . . . 1.7 109.861 175.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 58.22 26.54 13.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.374 -0.83 . . . . 2.85 112.32 171.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 69' ' ' LEU . . . 64.42 27.96 72.44 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.759 -0.734 . . . . 2.42 112.897 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -79.11 145.41 33.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.859 0.361 . . . . 3.28 110.157 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -63.65 132.49 51.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 1.96 110.266 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 83' ' ' LEU . 51.9 tp -54.17 -35.93 62.84 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-N 115.36 -0.836 . . . . 0.6 111.245 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.64 78.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.63 111.287 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -68.02 -41.93 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.211 -0.663 . . . . 2.3 109.211 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.19 -45.75 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.863 -1.062 . . . . 0.61 111.219 176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.0 mp -68.31 -30.11 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.83 111.399 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -71.48 -22.14 61.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.272 0.558 . . . . 1.83 110.041 176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.5 t -82.96 -10.93 58.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 1.5 110.566 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.6 53.83 2.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.41 0.624 . . . . 1.71 110.327 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.484 ' HB2' ' SD ' ' B' ' 14' ' ' MET . 3.8 p -79.01 90.79 4.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.572 -0.74 . . . . 3.09 111.337 -177.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -82.07 153.7 25.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.876 -0.602 . . . . 5.55 110.944 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -97.7 129.38 31.58 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.794 -0.639 . . . . 3.58 109.58 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.17 119.87 7.38 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.865 2.377 . . . . 3.95 112.673 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.57 162.0 14.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.051 -0.522 . . . . 5.08 109.907 176.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.616 -0.706 . . . . 4.12 109.265 179.124 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.484 ' SD ' ' HB2' ' A' ' 87' ' ' SER . 66.1 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.668 0.27 . . . . 6.44 110.572 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' B' ' 16' ' ' SER . 0.8 OUTLIER -91.79 -40.9 10.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.731 0.301 . . . . 4.73 111.287 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.408 ' N ' ' HG2' ' B' ' 15' ' ' MET . 63.1 m 72.12 -9.46 1.0 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.338 -0.846 . . . . 2.01 111.602 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' B' ' 15' ' ' MET . . . 62.68 75.63 0.39 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-N 115.533 -0.758 . . . . 1.09 111.15 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -80.21 163.05 24.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.877 -0.601 . . . . 1.33 109.9 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 38' ' ' GLU . 64.7 mttp -52.53 -54.73 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.179 0.299 . . . . 2.1 111.783 -175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.358 . . . . 1.58 111.738 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -68.9 -43.34 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.201 0.524 . . . . 1.54 110.458 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.476 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.2 mt -67.0 -46.98 83.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.463 -0.79 . . . . 0.44 110.425 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.61 -35.74 72.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.764 -0.653 . . . . 0.2 110.912 179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.24 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.935 -0.575 . . . . 0.31 110.889 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.406 HD11 ' CG ' ' B' ' 74' ' ' PHE . 97.7 mt -74.28 -35.79 63.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.892 0.377 . . . . 0.46 110.666 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.476 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.8 mt -64.08 -48.48 85.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.6 . . . . 0.27 110.878 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.33 -32.81 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.645 0.26 . . . . 0.23 110.624 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.04 -43.08 99.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.009 0.433 . . . . 1.58 110.085 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.572 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.1 t80 -58.72 -53.71 55.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.75 -0.659 . . . . 1.25 110.766 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.496 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 22.6 m-85 -61.23 -42.65 98.98 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.436 -0.347 . . . . 1.22 110.802 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.1 t -60.89 -39.72 90.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 1.15 110.47 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 10.7 t -73.81 -21.86 60.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.646 -0.252 . . . . 0.99 110.879 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.572 HG13 ' O ' ' B' ' 29' ' ' TYR . 60.6 mt -67.94 -52.43 39.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.44 110.012 175.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.09 -25.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.47 110.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.59 -50.86 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.268 -0.878 . . . . 2.22 111.104 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 32' ' ' SER . 18.4 pttm -104.8 25.62 10.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.221 -0.445 . . . . 2.08 111.486 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 pttm 39.92 62.1 1.33 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.763 -1.108 . . . . 2.6 112.653 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.506 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 21.7 mm-40 -97.28 -2.95 41.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.643 -0.708 . . . . 2.11 110.067 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 14.4 tt -131.56 155.11 41.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.314 -0.857 . . . . 0.52 109.49 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 11.9 t -81.19 169.06 17.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.661 0.267 . . . . 1.82 111.03 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' B' ' 41' ' ' GLU . 1.6 mp0 -51.45 -57.11 9.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.631 -0.713 . . . . 2.19 112.179 -173.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.75 -35.05 78.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.793 0.33 . . . . 2.29 111.193 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.506 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -64.77 -41.0 97.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.724 -0.75 . . . . 0.39 111.664 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.26 -38.52 75.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.085 0.469 . . . . 0.38 110.365 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.19 -46.17 83.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.407 -0.815 . . . . 1.84 111.32 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 31.5 p -70.43 -35.27 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.862 -0.335 . . . . 0.98 110.539 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 70.7 mt -64.43 -25.53 68.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.57 0.224 . . . . 0.41 110.779 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -66.86 -51.08 59.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.613 -0.267 . . . . 0.48 111.098 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 p -64.98 -34.07 68.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.661 -0.416 . . . . 0.36 110.169 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.523 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.45 -28.56 67.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.029 -0.532 . . . . 0.37 110.678 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.496 ' HE1' ' HB2' ' B' ' 30' ' ' PHE . 14.6 tpp -66.14 -48.33 71.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.65 110.384 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.61 -35.32 80.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 1.99 109.734 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 50' ' ' ALA . 1.6 t -58.09 -60.84 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.704 -0.68 . . . . 1.05 111.239 175.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 50' ' ' ALA . 62.3 mt -54.83 -45.01 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.128 0 CA-C-O 120.978 0.418 . . . . 0.33 110.715 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -60.96 -53.16 60.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.903 -0.59 . . . . 0.8 111.053 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.34 -45.24 80.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 2.66 111.588 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -63.23 -40.17 96.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 0.41 111.644 -175.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -83.73 -20.37 33.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.416 -0.356 . . . . 1.24 111.497 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.92 37.47 6.36 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.728 -0.748 . . . . 0.42 113.224 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -136.13 158.74 43.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.893 -0.41 . . . . 1.23 109.893 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -91.41 142.82 27.27 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.044 0.45 . . . . 2.33 110.39 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -63.78 -20.2 65.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 3.67 110.864 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -88.27 -3.21 58.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 3.19 110.856 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.75 2.84 22.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.525 -0.307 . . . . 0.66 111.491 -175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 p -61.55 -38.96 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.53 111.816 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.3 t -66.64 -32.91 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 1.63 110.518 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' B' ' 71' ' ' LYS . . . -65.98 -46.42 81.43 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.969 -0.634 . . . . 0.74 111.816 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.0 mt -58.94 -47.41 89.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.115 0.484 . . . . 0.7 110.365 177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.489 ' HB3' ' HA2' ' B' ' 76' ' ' GLY . 93.0 mt -67.41 -20.95 65.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.546 -0.752 . . . . 1.13 111.611 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.43 -29.22 27.93 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.907 -0.663 . . . . 1.24 112.08 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 67' ' ' GLY . 97.6 mttt -76.69 -47.35 22.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.912 0.386 . . . . 3.15 110.202 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 16.3 m -75.62 153.96 36.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.984 -0.553 . . . . 2.02 110.648 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -76.07 20.39 0.2 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.746 0.308 . . . . 2.64 111.782 -176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.406 ' CG ' HD11 ' B' ' 25' ' ' LEU . 60.6 m-85 -81.86 -17.59 46.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.841 -0.429 . . . . 1.7 109.841 175.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 58.21 26.55 13.95 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.369 -0.832 . . . . 2.85 112.392 171.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.489 ' HA2' ' HB3' ' B' ' 69' ' ' LEU . . . 64.6 27.68 72.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.845 -0.693 . . . . 2.43 112.9 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -78.83 145.44 34.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.845 0.355 . . . . 3.28 110.119 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -63.57 132.39 51.07 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.747 -0.66 . . . . 1.95 110.316 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 83' ' ' LEU . 51.9 tp -54.1 -36.08 62.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.419 -0.81 . . . . 0.6 111.171 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.23 -35.36 77.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.23 -0.441 . . . . 0.63 111.415 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -68.14 -42.17 80.56 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.192 -0.67 . . . . 2.3 109.192 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.11 -45.83 88.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 114.787 -1.097 . . . . 0.61 111.191 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.0 mp -68.2 -30.06 69.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.085 -0.507 . . . . 0.83 111.418 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -71.69 -21.9 61.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.318 0.58 . . . . 1.83 110.002 176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 34.9 t -83.25 -10.7 58.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.629 -0.714 . . . . 1.5 110.445 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.8 53.79 2.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.424 0.631 . . . . 1.7 110.291 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.471 ' HB2' ' SD ' ' A' ' 14' ' ' MET . 3.7 p -78.95 90.89 4.77 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.615 -0.721 . . . . 3.09 111.283 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -82.2 153.28 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 5.55 111.076 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -97.35 129.14 32.65 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.71 -0.677 . . . . 3.58 109.605 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.33 119.85 7.34 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.804 2.336 . . . . 3.95 112.706 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.41 162.09 14.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.069 -0.514 . . . . 5.08 110.005 176.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.447 -0.787 . . . . 4.13 109.379 179.06 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.161 -0.311 . . . . 6.45 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.451 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 91.9 mmm -97.36 148.87 22.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.731 -0.47 . . . . 4.73 109.731 178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 m -84.24 32.21 0.5 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.229 -0.441 . . . . 2.01 111.217 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.98 79.72 0.21 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.678 -0.692 . . . . 1.09 110.96 -178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -73.48 159.49 33.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 1.32 110.181 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -54.05 -51.58 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 2.1 111.257 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.62 -38.54 81.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.768 -0.651 . . . . 1.57 111.461 -178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.61 -46.99 83.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.138 0.494 . . . . 1.54 110.493 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 26' ' ' ILE . 70.5 mt -65.76 -49.74 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.61 -0.723 . . . . 0.44 110.964 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.21 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.058 -0.519 . . . . 0.2 110.984 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.55 97.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.31 110.922 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 74' ' ' PHE . 87.5 mt -70.11 -35.65 74.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.454 . . . . 0.46 110.698 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 22' ' ' ILE . 83.8 mt -63.65 -50.93 75.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.788 -0.642 . . . . 0.27 111.029 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.19 -30.76 48.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.24 110.546 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.0 -42.91 99.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.138 -0.483 . . . . 1.59 110.495 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.0 t80 -62.71 -51.67 66.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 1.25 110.789 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.82 -44.1 97.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.369 . . . . 1.22 111.467 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 51.6 p -65.78 -26.24 67.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.61 0.243 . . . . 1.15 110.844 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.3 m -74.3 -31.47 62.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.99 110.798 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.5 mt -68.9 -45.28 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 0.43 110.353 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.11 -16.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.839 -0.618 . . . . 0.47 111.219 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 31' ' ' SER . 9.8 tp10 -67.03 -49.74 64.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.958 0.409 . . . . 2.22 110.29 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.35 4.84 51.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 2.08 111.238 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 58.1 61.94 2.19 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.848 -1.069 . . . . 2.6 111.326 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.37 -5.36 20.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 2.12 111.268 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -107.7 162.08 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.95 -0.568 . . . . 0.51 110.162 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -67.47 158.67 31.29 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.051 0.219 . . . . 1.82 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.94 -52.27 65.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.757 0.313 . . . . 2.19 111.771 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -63.58 -32.88 74.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.048 0.452 . . . . 2.3 110.566 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.6 -41.05 90.44 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.858 -0.687 . . . . 0.39 111.911 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -44.42 97.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.023 0.439 . . . . 0.38 110.635 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -62.02 -40.58 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.687 -0.688 . . . . 1.84 110.719 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -64.52 -32.85 74.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.043 -0.526 . . . . 0.98 110.817 178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.0 mt -71.64 -23.8 61.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.41 110.929 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.88 -51.74 30.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.555 -0.293 . . . . 0.48 110.514 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -66.31 -36.47 77.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.36 110.406 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.54 -33.11 74.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.359 -0.382 . . . . 0.37 110.632 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.9 tpp -57.67 -47.37 82.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.65 110.662 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -62.29 -42.86 99.71 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.869 -0.605 . . . . 1.99 110.429 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.64 -48.94 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.757 -0.656 . . . . 1.05 111.795 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 50' ' ' ALA . 45.7 mt -62.47 -50.03 81.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.34 110.743 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 25.9 p -63.73 -46.1 86.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.082 -0.508 . . . . 0.8 111.108 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -65.03 -32.48 74.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 2.66 110.915 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.87 -38.51 89.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.38 -0.373 . . . . 0.42 111.583 -178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 52.2 m-85 -95.06 -14.28 24.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.481 -0.327 . . . . 1.24 111.628 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.86 43.66 4.09 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.79 -0.719 . . . . 0.43 113.231 174.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 55' ' ' SER . 44.1 p90 -148.45 169.73 19.58 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.558 -0.534 . . . . 1.22 109.558 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -114.2 163.79 14.76 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.395 -0.224 . . . . 2.33 110.395 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.551 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.4 ttt180 -56.77 -43.81 81.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.453 0.168 . . . . 3.67 111.4 -176.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.64 -9.6 20.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.064 0.394 . . . . 3.2 112.064 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -6.21 39.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.651 -0.249 . . . . 0.67 111.402 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 62' ' ' ARG . 10.8 p -63.84 -36.98 78.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.596 0.236 . . . . 0.54 111.071 -176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.6 p -61.9 -42.58 99.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.874 0.368 . . . . 1.63 110.921 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.418 ' O ' ' HG2' ' A' ' 71' ' ' LYS . . . -64.26 -48.04 78.69 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.985 -0.626 . . . . 0.76 112.002 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.05 -47.38 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.71 110.638 178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' HB3' ' HA2' ' A' ' 76' ' ' GLY . 59.4 mt -64.88 -34.15 77.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 1.14 111.678 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.58 -29.57 72.89 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.708 -0.758 . . . . 1.25 112.333 177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 34.9 mmtp -84.47 -37.53 21.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 3.16 110.759 178.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.2 p -61.98 155.45 23.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 2.02 112.079 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 15' ' ' MET . 14.1 mm-40 -78.1 17.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.481 -0.781 . . . . 2.64 110.416 176.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.515 ' CG ' HD11 ' A' ' 25' ' ' LEU . 78.7 m-85 -109.82 -12.51 14.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 1.7 110.072 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt 59.54 24.76 13.52 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.498 -0.774 . . . . 2.85 112.843 168.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' HA2' ' HB3' ' A' ' 69' ' ' LEU . . . 70.33 28.2 71.66 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.019 -0.61 . . . . 2.42 113.282 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -81.63 145.14 30.75 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.303 -0.629 . . . . 3.28 109.303 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.519 ' HB2' ' OD1' ' A' ' 81' ' ' ASP . 38.3 m80 -61.91 135.36 57.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.66 -0.496 . . . . 1.96 109.66 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HD13 ' A' ' 83' ' ' LEU . 43.6 tp -53.17 -32.31 47.19 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.259 -0.882 . . . . 0.6 111.46 -177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.86 69.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.302 -0.408 . . . . 0.63 111.342 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 4.5 m-20 -62.75 -37.71 87.68 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.263 0.554 . . . . 2.3 109.93 177.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.56 -52.73 57.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.362 -0.835 . . . . 0.61 110.773 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 79' ' ' LEU . 7.4 mp -62.54 -36.08 81.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.106 -0.497 . . . . 0.83 111.308 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.67 -38.06 80.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.312 0.577 . . . . 1.83 109.963 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 m -78.75 -20.41 50.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.839 -0.618 . . . . 1.5 111.174 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' B' ' 86' ' ' ALA . . . -108.72 52.85 0.7 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.949 0.404 . . . . 1.71 111.404 -176.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -77.29 139.74 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.225 -0.443 . . . . 3.09 110.616 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 3.3 mmp_? -114.52 144.98 42.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 5.55 109.784 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 7.4 p -88.01 118.03 69.14 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.972 0.415 . . . . 3.58 110.801 -177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 14.5 Cg_exo -70.61 77.08 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.079 2.519 . . . . 3.95 112.916 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -94.21 159.0 15.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.917 -0.583 . . . . 5.08 109.736 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.251 1.177 0 O-C-N 123.595 0.559 . . . . 4.12 110.882 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.083 -0.34 . . . . 6.44 110.083 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.454 ' H ' ' HG3' ' B' ' 73' ' ' GLU . 91.9 mmm -97.24 149.07 22.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.85 -0.426 . . . . 4.73 109.85 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -84.5 32.27 0.51 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.443 -0.344 . . . . 2.01 111.162 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 58.89 79.78 0.21 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.707 -0.679 . . . . 1.09 110.942 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -73.63 159.4 33.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.142 -0.481 . . . . 1.33 110.196 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -53.94 -51.58 63.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 2.1 111.218 -173.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.64 -38.59 81.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.831 -0.622 . . . . 1.58 111.516 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -63.74 -46.87 83.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.048 0.452 . . . . 1.54 110.466 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.456 ' O ' HG13 ' B' ' 26' ' ' ILE . 70.5 mt -65.82 -49.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.676 -0.693 . . . . 0.44 110.934 -178.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.14 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.2 110.916 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.49 97.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.665 -0.698 . . . . 0.31 110.906 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.505 HD11 ' CG ' ' B' ' 74' ' ' PHE . 87.5 mt -70.18 -35.54 74.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.007 0.432 . . . . 0.46 110.773 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.456 HG13 ' O ' ' B' ' 22' ' ' ILE . 83.6 mt -63.7 -50.99 75.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.725 -0.671 . . . . 0.27 111.02 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.02 -30.99 50.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.842 0.353 . . . . 0.23 110.554 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.96 -42.8 99.93 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.111 -0.495 . . . . 1.58 110.474 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.566 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.0 t80 -62.86 -51.7 65.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.225 -0.443 . . . . 1.25 110.703 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -60.67 -44.19 96.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.468 -0.333 . . . . 1.22 111.54 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 47.8 p -65.79 -26.1 67.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.77 0.319 . . . . 1.15 110.896 -179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 62.2 m -74.47 -31.49 62.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.795 0.331 . . . . 0.99 110.861 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.566 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.3 mt -68.83 -45.38 80.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.095 0.474 . . . . 0.44 110.373 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.05 -16.13 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.47 111.239 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 31' ' ' SER . 9.6 tp10 -66.98 -49.69 64.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 2.22 110.266 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -96.51 5.24 51.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.271 0.558 . . . . 2.08 111.275 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.5 tttm 57.83 62.15 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 114.832 -1.076 . . . . 2.6 111.288 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -105.53 -5.48 20.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.099 0.476 . . . . 2.11 111.312 -176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.437 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.1 tt -107.32 162.2 5.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.901 -0.59 . . . . 0.52 110.131 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 14.3 m -67.45 158.44 31.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.722 -0.217 . . . . 1.82 110.938 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.91 -52.3 65.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.806 0.336 . . . . 2.19 111.758 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -63.54 -32.81 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 2.29 110.55 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -67.74 -40.94 89.83 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.796 -0.716 . . . . 0.39 111.877 178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -44.44 97.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.015 0.436 . . . . 0.38 110.59 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.85 -40.79 96.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 1.84 110.826 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -64.64 -32.43 74.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.929 -0.578 . . . . 0.98 110.915 178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.7 mt -71.86 -23.68 61.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.295 . . . . 0.41 110.954 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -69.84 -51.87 29.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.54 -0.3 . . . . 0.48 110.538 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.24 -36.48 77.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.36 110.403 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.504 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.57 -33.21 75.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.445 -0.343 . . . . 0.37 110.634 177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 17.2 tpp -57.71 -47.35 82.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.65 110.618 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.1 -43.06 99.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.87 -0.604 . . . . 1.99 110.405 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.52 -48.98 77.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.671 -0.695 . . . . 1.05 111.85 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 50' ' ' ALA . 46.3 mt -62.56 -50.0 81.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.33 110.636 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.56 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 25.3 p -63.68 -46.08 87.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.149 -0.478 . . . . 0.8 111.137 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -64.98 -32.61 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 2.66 111.017 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.422 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.75 -38.56 89.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.41 111.601 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.428 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 52.7 m-85 -95.08 -14.16 24.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.469 -0.332 . . . . 1.24 111.601 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 43.19 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.65 -0.786 . . . . 0.42 113.377 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.56 ' O ' ' HB2' ' B' ' 55' ' ' SER . 44.0 p90 -147.97 169.7 19.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.609 -0.515 . . . . 1.23 109.609 176.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -114.11 163.83 14.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.426 -0.212 . . . . 2.33 110.426 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.552 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.3 ttt180 -56.82 -44.01 81.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.47 0.176 . . . . 3.67 111.366 -176.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.4 -9.78 20.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.986 0.365 . . . . 3.19 111.986 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.7 -6.25 40.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.736 -0.211 . . . . 0.66 111.444 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.552 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.0 p -63.89 -37.1 78.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.684 0.278 . . . . 0.53 110.989 -176.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 6.0 p -61.77 -42.4 98.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 1.63 110.922 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' B' ' 71' ' ' LYS . . . -64.44 -47.94 79.0 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.94 -0.647 . . . . 0.74 111.94 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.28 -47.25 91.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.7 110.607 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.506 ' HB3' ' HA2' ' B' ' 76' ' ' GLY . 60.1 mt -64.99 -34.0 77.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 1.13 111.707 -178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.44 -29.9 73.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 1.24 112.191 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' B' ' 67' ' ' GLY . 35.0 mmtp -84.48 -37.29 21.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.384 . . . . 3.15 110.696 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.4 ' C ' ' H ' ' B' ' 74' ' ' PHE . 97.3 p -62.24 155.21 25.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.662 -0.699 . . . . 2.02 112.153 -175.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' B' ' 15' ' ' MET . 14.1 mm-40 -77.94 17.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.524 -0.762 . . . . 2.64 110.378 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.505 ' CG ' HD11 ' B' ' 25' ' ' LEU . 78.6 m-85 -109.67 -12.67 14.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.194 -0.457 . . . . 1.7 110.17 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt 59.69 24.8 13.69 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.468 -0.787 . . . . 2.85 112.88 168.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' B' ' 69' ' ' LEU . . . 70.33 28.1 71.82 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.956 -0.64 . . . . 2.43 113.353 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -81.74 145.16 30.63 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.272 -0.64 . . . . 3.28 109.272 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.506 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 38.3 m80 -61.8 135.42 57.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.681 -0.488 . . . . 1.95 109.681 -179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HD13 ' B' ' 83' ' ' LEU . 43.8 tp -53.22 -32.23 47.16 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.256 -0.884 . . . . 0.6 111.418 -177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.73 69.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.297 -0.41 . . . . 0.63 111.305 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . 0.506 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 4.5 m-20 -62.71 -37.7 87.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.246 0.546 . . . . 2.3 110.014 177.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.62 -52.81 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.26 -0.882 . . . . 0.61 110.752 175.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.499 HD13 ' O ' ' B' ' 79' ' ' LEU . 7.4 mp -62.45 -36.15 81.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.83 111.196 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -59.63 -38.08 80.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.271 0.557 . . . . 1.83 109.954 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -19.83 50.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.925 -0.58 . . . . 1.5 111.238 -179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . . . -109.05 52.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.337 -0.392 . . . . 1.7 111.387 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.8 m -77.13 140.01 40.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.309 -0.405 . . . . 3.09 110.518 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.416 ' HE ' ' HA ' ' B' ' 88' ' ' ARG . 3.3 mmp_? -114.88 144.9 42.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.795 -0.446 . . . . 5.55 109.795 179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 7.5 p -87.72 118.14 69.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 3.58 110.814 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 14.4 Cg_exo -70.62 77.11 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.066 2.511 . . . . 3.95 112.921 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -94.24 159.02 15.32 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.0 -0.546 . . . . 5.08 109.718 174.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.153 0 O-C-N 123.605 0.566 . . . . 4.13 110.898 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.706 ' N ' ' HG ' ' B' ' 87' ' ' SER . 26.9 ptm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.756 0.312 . . . . 6.45 110.812 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 mmt -103.6 1.58 32.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 4.73 110.335 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.0 m 75.21 135.84 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.015 -0.993 . . . . 2.01 110.94 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.48 79.1 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.96 -0.563 . . . . 1.09 110.894 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.7 m -74.13 150.75 40.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 1.32 110.08 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.79 -46.65 74.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.831 0.678 . . . . 2.1 112.831 -170.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.16 -31.41 72.24 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.014 -0.274 . . . . 1.57 111.137 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.04 -42.36 80.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.601 0.715 . . . . 1.54 109.495 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' ILE . 94.0 mt -64.07 -46.53 93.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.932 -1.031 . . . . 0.44 110.582 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.94 -38.03 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.73 -0.668 . . . . 0.2 110.896 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.32 92.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.032 -0.531 . . . . 0.31 110.942 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 74' ' ' PHE . 48.8 mt -69.0 -37.09 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.502 -0.317 . . . . 0.46 110.889 177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.9 mt -65.01 -52.4 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.27 110.961 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.706 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.0 m -65.65 -32.19 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.842 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.04 -40.33 78.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 1.59 110.222 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' O ' HG13 ' A' ' 33' ' ' ILE . 46.8 t80 -63.53 -45.15 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.25 110.384 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 15.3 m-30 -59.27 -40.8 87.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.04 0.448 . . . . 1.22 110.327 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.7 m -68.03 -28.39 67.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.627 . . . . 1.15 110.584 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.47 -32.95 66.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.398 -0.365 . . . . 0.99 110.269 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 29' ' ' TYR . 64.9 mt -64.44 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.377 -0.374 . . . . 0.43 110.571 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -81.6 -20.67 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.47 110.57 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -67.52 -51.05 55.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.115 -0.493 . . . . 2.22 109.737 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -16.7 60.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.41 0.624 . . . . 2.08 110.07 176.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttp 56.49 52.48 9.83 Favored 'General case' 0 N--CA 1.46 0.044 0 CA-C-N 114.277 -1.328 . . . . 2.6 111.261 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.07 -13.25 27.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.76 0.79 . . . . 2.12 109.038 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.04 149.51 6.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.907 -1.042 . . . . 0.51 109.982 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -83.49 169.15 15.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.48 -0.327 . . . . 1.82 110.43 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 1.8 mp0 -50.99 -52.27 44.45 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.305 0.642 . . . . 2.19 112.639 -172.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.0 -45.34 90.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.816 0.341 . . . . 2.3 111.018 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.53 -40.67 99.42 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.848 -0.692 . . . . 0.39 111.955 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.86 87.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.815 0.34 . . . . 0.38 110.626 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.83 -36.71 84.08 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.159 -0.473 . . . . 1.84 110.696 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.5 m -62.21 -37.29 84.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.98 110.308 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.54 -27.84 62.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.261 -0.427 . . . . 0.41 110.652 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.62 -48.93 62.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.481 -0.327 . . . . 0.48 110.942 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.08 -38.4 81.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.695 -0.402 . . . . 0.36 110.083 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.0 -32.21 73.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.37 110.55 177.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.706 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.7 tpp -57.54 -49.28 76.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.65 110.666 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.73 -40.48 95.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 1.99 110.466 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 77.2 m -60.69 -49.73 76.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.444 -0.798 . . . . 1.05 111.09 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.3 mt -61.07 -46.67 96.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.876 0.369 . . . . 0.34 110.475 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.51 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 41.7 m -57.2 -52.77 63.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.8 111.332 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.34 -28.63 63.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.735 0.303 . . . . 2.66 111.194 -177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.48 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.803 0.335 . . . . 0.42 111.229 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -83.51 -21.5 32.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.036 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.31 42.15 4.35 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.947 -0.644 . . . . 0.43 113.175 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 24.2 p90 -137.59 155.12 49.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.104 -0.332 . . . . 1.22 110.104 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.72 145.54 26.63 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 2.33 110.34 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 65' ' ' VAL . 14.4 ttm180 -65.34 -21.72 66.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 3.67 110.923 -175.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.58 0.72 55.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.875 0.369 . . . . 3.2 111.03 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.37 0.27 24.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.67 111.443 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 62' ' ' ARG . 2.9 p -60.37 -42.48 91.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.648 -0.251 . . . . 0.54 111.294 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.9 t -65.45 -29.74 70.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.049 0.452 . . . . 1.63 110.048 178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.89 -47.44 39.13 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.759 -0.655 . . . . 0.76 112.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.9 mt -61.13 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.411 . . . . 0.71 110.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.6 mt -74.2 -3.14 28.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.193 0.521 . . . . 1.14 111.208 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.4 24.89 5.51 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.413 -1.075 . . . . 1.25 110.413 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.12 -64.52 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.217 -0.491 . . . . 3.16 110.425 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.1 m -87.24 -73.12 0.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.36 . . . . 2.02 110.708 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' B' ' 87' ' ' SER . 15.0 pt-20 -160.72 -151.76 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.53 -0.545 . . . . 2.64 109.53 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.435 ' CG ' HD11 ' A' ' 25' ' ' LEU . 49.1 m-85 66.39 40.84 3.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 108.366 -0.975 . . . . 1.7 108.366 -175.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -83.64 76.17 9.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.378 -1.283 . . . . 2.85 111.895 -170.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.59 -47.39 0.93 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.149 -1.024 . . . . 2.42 112.693 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -83.94 138.8 32.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.047 0.451 . . . . 3.28 110.378 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -88.76 179.24 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.768 -0.827 . . . . 1.96 108.768 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 83' ' ' LEU . 29.1 tp -55.84 -47.04 77.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.6 110.813 -178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.34 88.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.127 -0.488 . . . . 0.63 111.65 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -59.11 -44.22 91.95 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.411 0.624 . . . . 2.3 109.605 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.56 -52.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.894 -1.048 . . . . 0.61 111.264 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.8 mp -65.74 -29.36 69.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.83 111.577 -177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.33 -22.36 61.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.958 0.409 . . . . 1.83 110.186 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.7 t -82.98 -26.82 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.924 -0.58 . . . . 1.5 110.096 177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.53 137.35 34.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 1.71 109.855 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.688 ' HG ' ' N ' ' B' ' 14' ' ' MET . 50.9 m -152.74 148.98 27.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.046 0.45 . . . . 3.09 111.758 -176.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -141.3 120.16 12.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.713 -0.676 . . . . 5.55 110.128 173.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.616 ' HA ' ' SD ' ' B' ' 14' ' ' MET . 38.7 t -76.86 123.45 87.46 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.63 -0.713 . . . . 3.58 110.941 -177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 24.5 Cg_exo -63.24 109.03 0.89 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.743 2.295 . . . . 3.95 111.572 176.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -142.33 122.27 13.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.265 -0.425 . . . . 5.08 110.419 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.646 -0.692 . . . . 4.12 110.142 178.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.688 ' N ' ' HG ' ' A' ' 87' ' ' SER . 27.0 ptm . . . . . 0 N--CA 1.483 1.22 0 CA-C-O 120.79 0.328 . . . . 6.44 110.792 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 25.1 mmt -103.5 1.43 32.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.572 -0.285 . . . . 4.73 110.355 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m 75.37 135.68 0.06 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 124.304 1.003 . . . . 2.01 110.942 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.35 79.5 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.952 -0.567 . . . . 1.09 110.753 -179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 29.4 m -74.51 150.72 39.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.98 -0.554 . . . . 1.33 110.271 177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -54.72 -46.67 74.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.761 0.652 . . . . 2.1 112.761 -169.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.07 -31.63 72.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.636 0.255 . . . . 1.58 111.152 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -68.02 -42.33 80.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.49 0.662 . . . . 1.54 109.443 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.461 ' O ' HG13 ' B' ' 26' ' ' ILE . 93.8 mt -64.2 -46.48 93.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 114.951 -1.022 . . . . 0.44 110.565 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.11 69.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.737 -0.665 . . . . 0.2 110.929 178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -43.45 92.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.31 111.027 178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.437 HD11 ' CG ' ' B' ' 74' ' ' PHE . 49.0 mt -68.94 -37.08 78.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.46 110.948 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.461 HG13 ' O ' ' B' ' 22' ' ' ILE . 80.7 mt -64.97 -52.32 55.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.039 -0.528 . . . . 0.27 111.009 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.696 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.0 m -65.75 -32.17 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.454 -0.339 . . . . 0.23 110.732 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.97 -40.48 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.381 -0.372 . . . . 1.58 110.282 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.519 ' O ' HG13 ' B' ' 33' ' ' ILE . 46.7 t80 -63.43 -45.13 92.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 1.25 110.408 177.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 15.3 m-30 -59.37 -40.65 87.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.02 0.438 . . . . 1.22 110.318 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 47.0 m -67.99 -28.63 67.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.879 -0.6 . . . . 1.15 110.542 176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -72.37 -33.02 66.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.42 -0.355 . . . . 0.99 110.271 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.1 mt -64.44 -40.56 89.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.458 -0.337 . . . . 0.44 110.526 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.44 -20.66 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.496 -0.32 . . . . 0.47 110.539 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -67.73 -50.76 55.7 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.734 -0.469 . . . . 2.22 109.734 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -16.36 59.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.442 0.639 . . . . 2.08 110.044 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 56.26 52.57 10.0 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.195 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -94.08 -13.33 26.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.768 0.794 . . . . 2.11 109.088 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.0 tt -100.96 149.42 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.858 -1.064 . . . . 0.52 110.04 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -83.44 168.94 16.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.588 -0.278 . . . . 1.82 110.52 -177.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 41' ' ' GLU . 1.8 mp0 -50.79 -52.05 44.71 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.767 0.654 . . . . 2.19 112.767 -172.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.16 -45.41 91.06 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.769 0.319 . . . . 2.29 111.019 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.49 -40.62 99.33 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.835 -0.698 . . . . 0.39 111.978 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.62 88.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.773 0.32 . . . . 0.38 110.645 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.113 0.482 . . . . 1.84 110.56 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 48.8 m -62.19 -37.14 84.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.791 -0.64 . . . . 0.98 110.365 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -72.54 -27.81 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.616 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -68.55 -49.2 61.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.459 -0.337 . . . . 0.48 110.963 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.86 -38.28 81.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.966 0.412 . . . . 0.36 110.164 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.521 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.18 -32.14 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.37 110.55 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.696 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.7 tpp -57.57 -49.34 76.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.888 -0.597 . . . . 0.65 110.704 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -64.82 -40.33 95.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.993 -0.549 . . . . 1.99 110.438 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.6 m -60.58 -49.82 76.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.541 -0.754 . . . . 1.05 111.125 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.521 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.1 mt -61.15 -46.7 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.33 110.439 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 40.4 m -57.1 -52.97 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 0.8 111.265 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -72.28 -28.57 63.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.628 -0.26 . . . . 2.66 111.15 -177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.22 -47.44 73.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.41 111.253 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -83.25 -21.67 33.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 1.24 111.073 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.4 42.01 4.36 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.852 -0.69 . . . . 0.42 113.113 174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 24.5 p90 -137.57 155.2 49.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.943 0.372 . . . . 1.23 110.059 178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -86.83 145.4 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.184 -0.462 . . . . 2.33 110.359 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.449 ' O ' HG12 ' B' ' 65' ' ' VAL . 14.3 ttm180 -65.05 -21.47 66.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.511 -0.768 . . . . 3.67 111.114 -175.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.89 0.68 55.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.929 0.395 . . . . 3.19 110.918 179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.25 0.13 24.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.66 111.358 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.449 HG12 ' O ' ' B' ' 62' ' ' ARG . 2.9 p -60.23 -42.38 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 116.686 -0.234 . . . . 0.53 111.262 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -65.8 -29.22 69.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.179 0.514 . . . . 1.63 110.079 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.07 -47.56 37.17 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.877 -0.601 . . . . 0.74 112.04 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.2 -41.54 89.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.392 . . . . 0.7 110.92 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.33 -2.92 27.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.171 0.51 . . . . 1.13 111.274 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -126.44 24.84 5.51 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.341 -1.104 . . . . 1.24 110.341 173.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -108.91 -64.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.225 -0.487 . . . . 3.15 110.546 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 18.7 m -87.16 -73.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.917 0.389 . . . . 2.02 110.551 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.41 ' OE1' ' HA ' ' A' ' 87' ' ' SER . 15.0 pt-20 -160.5 -151.68 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.987 -0.551 . . . . 2.64 109.618 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.437 ' CG ' HD11 ' B' ' 25' ' ' LEU . 49.2 m-85 66.24 40.96 3.6 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 108.421 -0.955 . . . . 1.7 108.421 -175.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -83.57 76.07 9.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.377 -1.283 . . . . 2.85 111.972 -170.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.52 -47.16 0.94 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.143 -1.027 . . . . 2.43 112.734 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -84.07 138.7 32.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.974 0.416 . . . . 3.28 110.386 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -88.61 179.3 6.29 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.754 -0.832 . . . . 1.95 108.754 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' HD13 ' B' ' 83' ' ' LEU . 29.1 tp -55.96 -47.16 78.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.4 . . . . 0.6 110.702 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.43 89.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.208 -0.451 . . . . 0.63 111.669 -178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -59.05 -44.14 91.77 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.37 0.605 . . . . 2.3 109.652 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 79.5 mt -59.65 -52.95 54.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.962 -1.017 . . . . 0.61 111.234 177.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.448 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.8 mp -65.57 -29.41 70.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.042 -0.526 . . . . 0.83 111.597 -177.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.37 -22.21 61.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.09 0.471 . . . . 1.83 110.24 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 23.0 t -83.1 -26.88 30.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.953 -0.567 . . . . 1.5 110.05 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.59 137.27 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 1.7 109.853 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.706 ' HG ' ' N ' ' A' ' 14' ' ' MET . 50.5 m -152.57 149.13 28.15 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.949 0.404 . . . . 3.09 111.63 -176.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -141.33 120.2 12.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.906 -0.588 . . . . 5.55 110.122 173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.563 ' HA ' ' SD ' ' A' ' 14' ' ' MET . 39.4 t -77.15 123.3 87.17 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.762 -0.654 . . . . 3.58 110.896 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.18 108.86 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.709 2.273 . . . . 3.95 111.704 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -141.97 122.34 14.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.174 -0.466 . . . . 5.08 110.368 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 32.0 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.826 -0.607 . . . . 4.13 110.28 178.758 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.4 ttp . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.441 0.163 . . . . 6.45 110.726 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.4 mmt -64.4 -76.57 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.568 -0.287 . . . . 4.73 110.97 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -161.12 173.44 15.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.993 -0.373 . . . . 2.01 109.993 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.14 86.15 1.69 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.494 -0.775 . . . . 1.09 109.605 177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.4 t -72.09 159.11 34.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.802 -0.636 . . . . 1.32 109.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 58' ' ' PHE . 36.3 mtmm -50.52 -49.35 55.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.581 0.229 . . . . 2.1 111.539 -176.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.05 -33.64 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 1.57 111.466 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 72' ' ' SER . 51.1 mt-10 -68.71 -41.09 79.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.22 0.533 . . . . 1.54 110.212 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' ILE . 84.6 mt -68.55 -47.17 78.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.544 -0.753 . . . . 0.44 110.538 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.76 68.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.785 -0.643 . . . . 0.2 110.839 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -49.83 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.896 -0.593 . . . . 0.31 110.587 176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD11 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -65.51 -36.74 84.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.46 111.177 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 22' ' ' ILE . 71.7 mt -61.59 -51.16 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.875 -0.602 . . . . 0.27 110.934 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.59 -30.78 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.889 -0.324 . . . . 0.24 110.659 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 78' ' ' HIS . 17.5 t-20 -60.93 -45.47 94.56 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.245 -0.434 . . . . 1.59 110.632 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' O ' HG13 ' A' ' 33' ' ' ILE . 41.2 t80 -60.15 -51.33 70.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 1.25 110.628 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.39 -39.64 91.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.363 -0.381 . . . . 1.22 110.726 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -60.63 -41.9 95.81 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.15 110.364 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 13.8 t -65.23 -37.14 86.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.77 0.319 . . . . 0.99 110.41 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 29' ' ' TYR . 65.4 mt -63.19 -45.95 97.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.284 -0.416 . . . . 0.43 111.035 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.14 -24.92 12.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.47 111.273 -178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.14 -51.24 59.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.953 0.406 . . . . 2.22 110.086 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -77.84 -11.91 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.558 0.694 . . . . 2.08 110.27 177.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp 58.25 53.77 6.25 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 114.296 -1.32 . . . . 2.6 111.113 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -88.77 -26.98 21.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.656 0.741 . . . . 2.12 109.476 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.522 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.4 tt -88.95 156.73 3.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 114.952 -1.022 . . . . 0.51 110.58 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.59 167.33 17.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.406 -0.361 . . . . 1.82 110.889 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -57.68 -54.38 47.51 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.625 -0.262 . . . . 2.19 111.52 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.21 -38.82 87.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.328 -0.396 . . . . 2.3 110.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.42 -43.55 99.19 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.882 -0.675 . . . . 0.39 112.043 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.64 91.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.38 110.674 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.05 -37.02 83.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.924 -0.58 . . . . 1.84 110.907 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -64.15 -41.5 97.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 0.98 110.151 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.75 -29.78 70.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.41 111.123 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.37 -60.15 3.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.48 110.809 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.6 -36.83 76.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.944 0.402 . . . . 0.36 110.71 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.651 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.92 -35.08 78.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.37 110.679 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.474 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 11.6 ttm -70.76 -38.59 73.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.213 -0.449 . . . . 0.65 110.984 -176.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.64 -40.51 95.13 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.34 -0.615 . . . . 1.99 109.34 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 78.1 m -60.26 -51.56 69.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.354 -0.839 . . . . 1.05 110.791 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' ' 50' ' ' ALA . 55.1 mt -55.85 -53.23 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.201 0.524 . . . . 0.34 110.449 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 17.9 m -59.62 -51.55 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.495 -0.775 . . . . 0.8 111.689 -175.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -69.56 -35.78 75.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.404 -0.362 . . . . 2.66 111.13 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -65.33 -41.8 93.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.447 -0.342 . . . . 0.42 111.363 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 19' ' ' LYS . 44.1 m-85 -82.55 -29.49 30.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.884 0.373 . . . . 1.24 111.294 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.32 37.35 3.83 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.771 -0.728 . . . . 0.43 113.055 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' SER . 27.7 p90 -138.98 159.48 42.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.623 -0.51 . . . . 1.22 109.623 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -103.04 154.53 19.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.305 0.574 . . . . 2.33 110.754 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' O ' HG12 ' A' ' 65' ' ' VAL . 80.4 mtm180 -64.71 -18.49 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.198 -0.91 . . . . 3.67 112.614 -172.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -90.64 -7.28 53.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 3.2 110.832 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -96.98 -2.93 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.838 0.351 . . . . 0.67 111.224 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 3.3 p -57.62 -44.41 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.977 -0.556 . . . . 0.54 111.86 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -65.27 -35.56 81.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 1.63 111.004 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.06 -37.0 82.11 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.019 -0.61 . . . . 0.76 111.973 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.1 mt -66.54 -43.99 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.71 110.241 177.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 95.2 mt -63.65 -41.73 98.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.785 -0.643 . . . . 1.14 110.816 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.27 -25.77 67.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 121.069 -0.586 . . . . 1.25 113.091 -178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -94.61 0.11 54.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.723 -0.281 . . . . 3.16 111.426 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.436 ' HB3' ' OE2' ' A' ' 21' ' ' GLU . 21.9 p -119.56 -173.56 2.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.299 0.481 . . . . 2.02 112.299 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' B' ' 87' ' ' SER . 6.8 mm-40 -66.14 -19.32 65.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.77 -0.65 . . . . 2.64 111.458 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' A' ' 25' ' ' LEU . 6.3 m-85 -84.81 -28.9 25.8 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.606 -0.724 . . . . 1.7 111.342 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HG3' ' HD2' ' B' ' 90' ' ' PRO . 74.8 mmtt 69.15 -64.13 0.34 Allowed 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.642 0.777 . . . . 2.85 112.475 173.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 176.98 34.55 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.792 -0.718 . . . . 2.42 112.137 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -110.06 169.36 8.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.962 -0.384 . . . . 3.28 109.962 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.553 ' HA ' ' OD1' ' A' ' 28' ' ' ASN . 34.5 m80 -84.27 149.6 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.518 -0.31 . . . . 1.96 110.512 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.422 HD11 HD11 ' B' ' 79' ' ' LEU . 60.3 tp -55.16 -38.05 67.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.805 -0.634 . . . . 0.6 111.022 178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.41 84.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.829 -0.623 . . . . 0.63 112.013 -175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 78' ' ' HIS . 7.0 m-20 -58.08 -40.44 81.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.494 0.664 . . . . 2.3 109.818 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.2 mt -68.24 -53.53 28.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.009 -0.996 . . . . 0.61 111.075 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.24 -33.31 75.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.164 0.431 . . . . 0.83 112.164 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -62.26 -40.46 96.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.332 0.587 . . . . 1.83 110.176 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -78.1 -42.56 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.5 110.919 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.16 145.63 52.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 1.71 111.496 -177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' B' ' 73' ' ' GLU . 12.0 p -159.02 127.31 5.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.949 -0.569 . . . . 3.09 110.324 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -133.75 143.35 48.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.197 -0.456 . . . . 5.55 109.841 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.14 84.45 57.33 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.896 0.379 . . . . 3.58 110.741 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.2 82.39 2.52 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.838 2.358 . . . . 3.95 110.837 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.7 111.18 1.52 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.909 -0.587 . . . . 5.08 111.676 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.5 p . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.626 -0.702 . . . . 4.12 109.697 177.102 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 59.9 ttp . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.464 0.173 . . . . 6.44 110.789 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.34 -76.68 0.07 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.567 -0.288 . . . . 4.73 110.998 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 72.6 m -160.7 173.71 15.03 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 110.062 -0.348 . . . . 2.01 110.062 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.41 86.08 1.67 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.552 -0.749 . . . . 1.09 109.636 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.2 t -72.13 159.31 34.36 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.605 . . . . 1.33 109.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' B' ' 58' ' ' PHE . 36.3 mtmm -50.72 -49.16 58.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.639 0.257 . . . . 2.1 111.631 -176.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.1 -33.64 76.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.426 -0.352 . . . . 1.58 111.498 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' HB3' ' B' ' 72' ' ' SER . 51.5 mt-10 -68.81 -41.2 78.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.314 0.578 . . . . 1.54 110.18 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.446 ' O ' HG13 ' B' ' 26' ' ' ILE . 84.4 mt -68.32 -47.31 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.46 -0.791 . . . . 0.44 110.48 178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.64 -30.78 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.2 110.82 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.85 74.81 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.31 110.584 175.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.445 HD11 ' CD1' ' B' ' 74' ' ' PHE . 17.1 mt -65.48 -36.73 84.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 0.46 111.134 177.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.446 HG13 ' O ' ' B' ' 22' ' ' ILE . 71.9 mt -61.48 -51.26 74.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.001 -0.545 . . . . 0.27 110.956 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.2 m -70.48 -30.86 44.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.987 -0.285 . . . . 0.23 110.66 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' B' ' 78' ' ' HIS . 17.3 t-20 -60.95 -45.43 94.74 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.643 176.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.468 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.3 t80 -60.13 -51.29 70.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.954 -0.567 . . . . 1.25 110.673 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -61.6 -39.54 91.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 1.22 110.694 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -60.5 -41.99 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.15 110.395 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 14.0 t -65.12 -37.2 86.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.99 110.412 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 29' ' ' TYR . 65.7 mt -63.3 -45.83 97.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 116.282 -0.417 . . . . 0.44 111.131 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 36.0 m -79.07 -25.04 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.65 -0.25 . . . . 0.47 111.219 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.05 -51.29 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.939 0.399 . . . . 2.22 110.065 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.2 OUTLIER -77.95 -11.66 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.524 0.678 . . . . 2.08 110.216 178.141 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp 57.89 53.88 6.57 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 114.248 -1.342 . . . . 2.6 111.204 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.87 -27.03 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.771 0.796 . . . . 2.11 109.543 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -88.85 156.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.52 110.436 -176.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -69.47 167.09 17.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.4 -0.364 . . . . 1.82 110.997 -177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.88 -53.79 54.19 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 111.588 0.218 . . . . 2.19 111.588 -173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -61.53 -38.92 89.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.488 -0.323 . . . . 2.29 110.721 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.15 -43.66 99.13 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.881 -0.676 . . . . 0.39 112.01 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.62 91.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.879 0.371 . . . . 0.38 110.623 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -62.17 -36.84 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.882 -0.599 . . . . 1.84 110.881 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 42.5 m -64.24 -41.45 96.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.98 110.179 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.77 -29.84 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.41 111.099 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -62.32 -60.27 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.454 -0.339 . . . . 0.48 110.729 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.49 -36.92 77.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.97 0.414 . . . . 0.36 110.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.0 -34.89 78.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.37 110.801 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 11.4 ttm -70.66 -38.73 73.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.156 -0.475 . . . . 0.65 111.076 -176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.58 -40.57 95.22 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.299 -0.63 . . . . 1.99 109.299 174.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 78.0 m -60.23 -51.55 69.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 1.05 110.814 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.9 mt -55.68 -53.36 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.177 0.513 . . . . 0.33 110.497 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.508 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.0 m -59.53 -51.62 69.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.458 -0.792 . . . . 0.8 111.627 -175.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.63 -35.77 75.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 2.66 111.173 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -65.21 -41.95 93.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.451 -0.34 . . . . 0.41 111.425 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HB3' ' B' ' 19' ' ' LYS . 44.5 m-85 -81.98 -30.52 31.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.301 -0.409 . . . . 1.24 111.177 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.56 38.09 3.56 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.741 -0.742 . . . . 0.42 112.861 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' B' ' 55' ' ' SER . 27.6 p90 -139.53 159.43 42.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.622 -0.51 . . . . 1.23 109.622 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -103.06 154.48 19.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.13 0.491 . . . . 2.33 110.768 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -64.92 -18.18 65.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.282 -0.872 . . . . 3.67 112.587 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -90.63 -7.58 52.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.95 0.405 . . . . 3.19 110.75 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.433 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -96.75 -2.8 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.287 -0.415 . . . . 0.66 111.14 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 3.2 p -57.97 -44.42 86.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.53 111.871 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -65.33 -35.57 81.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.799 0.333 . . . . 1.63 111.036 -177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.85 -36.67 82.56 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.929 -0.653 . . . . 0.74 111.957 177.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 64' ' ' ALA . 73.8 mt -66.95 -44.09 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.7 110.289 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 95.0 mt -63.5 -41.66 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.735 -0.666 . . . . 1.13 110.857 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.45 -25.66 67.22 Favored Glycine 0 C--O 1.228 -0.262 0 C-N-CA 121.132 -0.556 . . . . 1.24 112.971 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -94.66 0.37 55.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.711 -0.287 . . . . 3.15 111.563 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.421 ' HB3' ' OE2' ' B' ' 21' ' ' GLU . 22.2 p -119.88 -173.5 2.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.244 0.461 . . . . 2.02 112.244 -174.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' ' 87' ' ' SER . 6.9 mm-40 -66.16 -19.34 65.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.687 -0.688 . . . . 2.64 111.502 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.445 ' CD1' HD11 ' B' ' 25' ' ' LEU . 6.3 m-85 -84.76 -28.96 25.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.66 -0.7 . . . . 1.7 111.352 -170.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 69.08 -64.08 0.34 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.878 0.736 . . . . 2.85 112.552 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 176.94 34.55 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.819 -0.705 . . . . 2.43 112.254 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -110.04 169.41 8.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.969 -0.382 . . . . 3.28 109.969 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.552 ' HB2' ' OD1' ' B' ' 81' ' ' ASP . 34.5 m80 -84.33 149.48 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.777 0.323 . . . . 1.95 110.476 -177.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 60.2 tp -55.05 -38.01 67.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.65 . . . . 0.6 111.155 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.38 84.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.765 -0.652 . . . . 0.63 112.009 -175.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' B' ' 78' ' ' HIS . 6.9 m-20 -58.15 -40.67 81.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.58 0.705 . . . . 2.3 109.764 177.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.92 -53.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.967 -1.015 . . . . 0.61 111.067 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 7.9 mp -64.45 -33.28 75.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.109 0.411 . . . . 0.83 112.109 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.23 -40.84 97.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.368 0.604 . . . . 1.83 110.106 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 15.0 m -77.73 -42.39 34.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.417 -0.811 . . . . 1.5 111.039 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.39 145.54 53.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.053 -0.521 . . . . 1.7 111.525 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' A' ' 73' ' ' GLU . 12.5 p -159.08 127.36 5.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.995 -0.548 . . . . 3.09 110.284 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -133.63 143.45 48.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.478 . . . . 5.55 109.861 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.28 84.62 56.22 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.754 0.311 . . . . 3.58 110.711 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.44 ' HD2' ' HG3' ' A' ' 75' ' ' LYS . 6.1 Cg_exo -79.37 82.56 2.47 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.94 2.427 . . . . 3.95 110.797 173.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -60.79 111.07 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.657 -0.701 . . . . 5.08 111.599 -175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.409 -0.805 . . . . 4.13 109.601 177.051 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 71.3 mtm . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.416 -0.216 . . . . 6.45 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 66.8 mtt 63.16 20.57 12.36 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.635 0.731 . . . . 4.73 111.111 178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -78.47 -14.68 59.25 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.104 -0.953 . . . . 2.01 109.716 175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' B' ' 80' ' ' ALA . . . 61.34 58.98 2.02 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 114.34 -1.3 . . . . 1.09 111.236 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 38.7 t -65.5 145.58 55.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.806 -0.813 . . . . 1.32 108.806 176.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -53.83 -42.81 68.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.703 0.287 . . . . 2.1 111.334 -169.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -66.5 -30.43 70.76 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.078 -0.51 . . . . 1.57 111.562 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 18' ' ' SER . 56.7 mt-10 -68.98 -37.28 78.67 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.182 0.515 . . . . 1.54 110.616 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.0 mt -68.04 -50.41 59.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.7 -0.682 . . . . 0.44 109.79 178.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.25 -29.61 68.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.477 -0.783 . . . . 0.2 110.794 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -55.91 -51.42 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.735 -0.666 . . . . 0.31 110.947 177.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD11 ' HB3' ' A' ' 74' ' ' PHE . 49.5 mt -69.08 -34.87 75.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.727 0.299 . . . . 0.46 110.906 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 22' ' ' ILE . 63.4 mt -60.13 -52.2 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.27 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.79 -30.23 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.637 0.256 . . . . 0.24 110.802 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -61.98 -41.84 98.48 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.036 0.446 . . . . 1.59 109.947 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' A' ' 33' ' ' ILE . 53.9 t80 -63.68 -48.92 75.2 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.98 -0.555 . . . . 1.25 110.743 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.73 -41.05 90.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 1.22 110.841 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 t -66.38 -35.34 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.394 -0.366 . . . . 1.15 110.084 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -64.64 -31.95 73.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.99 110.569 178.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 29' ' ' TYR . 56.2 mt -63.26 -49.73 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.43 110.564 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -77.66 -23.85 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 0.47 110.81 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.93 -38.94 80.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.928 -0.578 . . . . 2.22 110.99 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -102.04 2.76 38.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 2.08 110.927 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.79 57.84 5.67 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.262 -0.881 . . . . 2.6 110.302 -174.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.35 -32.78 24.06 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.947 0.879 . . . . 2.12 109.195 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 HD11 ' HB1' ' B' ' 57' ' ' ALA . 16.5 tt -103.63 155.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.515 -1.221 . . . . 0.51 110.613 -173.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.0 t -81.38 179.44 7.85 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.197 -0.456 . . . . 1.82 110.64 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -58.79 -50.67 73.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.096 -0.502 . . . . 2.19 111.731 -171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.47 -47.7 78.66 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.923 0.392 . . . . 2.3 110.99 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.471 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -65.38 -43.54 94.83 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.884 -0.674 . . . . 0.39 112.264 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.48 89.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.38 110.854 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -66.83 -39.57 87.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.898 -0.592 . . . . 1.84 111.363 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.7 p -69.87 -31.88 69.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.831 0.348 . . . . 0.98 110.662 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 63.8 mt -67.29 -27.12 66.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.41 110.593 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.5 m120 -68.13 -49.06 63.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.434 -0.348 . . . . 0.48 111.027 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -68.15 -33.8 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.971 0.415 . . . . 0.36 110.173 178.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -67.8 -32.91 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.37 110.657 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 tpp -57.85 -52.04 67.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.65 110.714 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.05 -27.92 69.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.685 -0.689 . . . . 1.99 111.036 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.73 -45.42 68.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.417 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 50' ' ' ALA . 58.3 mt -64.11 -48.83 84.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.34 110.678 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.549 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 29.7 p -61.95 -49.17 77.2 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.05 -0.523 . . . . 0.8 111.308 -176.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -68.69 -22.89 64.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 2.66 110.886 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -70.73 -47.37 60.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.125 -0.489 . . . . 0.42 111.309 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 77.1 m-85 -86.97 -27.27 23.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.333 -0.394 . . . . 1.24 111.975 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.28 31.56 4.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.286 -0.959 . . . . 0.43 113.322 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' ' HB2' ' A' ' 55' ' ' SER . 41.4 p90 -138.16 149.19 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.197 -0.668 . . . . 1.22 109.197 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -85.77 159.64 19.7 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.032 -0.267 . . . . 2.33 110.596 179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.675 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.5 ttp180 -54.81 -48.81 72.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.726 0.298 . . . . 3.67 111.153 -177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.0 -8.7 51.24 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.932 0.345 . . . . 3.2 111.932 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.59 -12.34 48.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.472 0.177 . . . . 0.67 111.444 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.675 HG12 ' O ' ' A' ' 62' ' ' ARG . 11.4 p -65.26 -30.9 51.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.895 0.378 . . . . 0.54 110.907 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -61.74 -40.89 96.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.177 -0.465 . . . . 1.63 110.331 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.95 -36.99 87.45 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.953 -0.642 . . . . 0.76 111.99 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.97 -48.87 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.008 0.432 . . . . 0.71 110.095 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 75' ' ' LYS . 86.2 mt -73.79 0.78 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.949 -0.569 . . . . 1.14 111.597 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.72 -44.4 4.87 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.544 -0.836 . . . . 1.25 111.242 172.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -84.57 -41.87 16.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.84 -0.18 . . . . 3.16 111.44 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.2 m -67.42 151.82 46.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.288 0.565 . . . . 2.02 111.692 -176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' B' ' 88' ' ' ARG . 7.3 mm-40 -71.32 -13.92 62.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.259 -0.882 . . . . 2.64 111.039 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.616 ' CE1' ' HB3' ' B' ' 83' ' ' LEU . 64.7 m-85 -73.21 -51.07 19.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.877 -0.602 . . . . 1.7 110.428 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 24.3 mtpp 61.83 -169.64 0.17 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.414 -0.812 . . . . 2.85 111.416 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' HA2' HD13 ' A' ' 69' ' ' LEU . . . -63.23 -86.7 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.103 -0.57 . . . . 2.42 112.669 -177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 52.87 -157.88 0.15 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.179 0.514 . . . . 3.28 111.103 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -128.4 125.68 39.08 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.158 -0.682 . . . . 1.96 109.158 173.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' LEU . 61.3 tp -55.59 -33.04 63.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.164 -0.925 . . . . 0.6 111.6 -174.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' B' ' 17' ' ' ALA . . . -63.93 -48.73 75.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.282 -0.417 . . . . 0.63 111.312 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.51 -41.09 96.77 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.252 0.548 . . . . 2.3 110.18 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 68.9 mt -56.58 -47.29 82.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.052 -0.976 . . . . 0.61 110.769 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.62 ' HB3' ' CE1' ' B' ' 74' ' ' PHE . 5.9 mp -67.98 -34.96 77.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.769 -0.651 . . . . 0.83 111.176 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.81 -13.52 61.62 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.854 0.359 . . . . 1.83 111.273 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.5 m -82.24 -9.31 59.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.293 -0.412 . . . . 1.5 110.911 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.76 -174.09 4.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 1.71 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.3 p -153.46 155.51 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 3.09 110.784 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.481 ' O ' ' HD3' ' A' ' 90' ' ' PRO . 13.9 ptm180 -96.0 151.5 19.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.814 0.34 . . . . 5.55 110.104 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.0 t -107.18 93.69 9.84 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 109.258 -0.645 . . . . 3.58 109.258 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 64.3 Cg_endo -92.77 119.71 0.42 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 122.799 2.333 . . . . 3.95 113.61 -176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -88.54 26.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.234 0.54 . . . . 5.08 110.017 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.5 -0.762 . . . . 4.12 110.151 -179.501 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 71.4 mtm . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.601 0.238 . . . . 6.44 110.396 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 67.0 mtt 63.13 20.56 12.35 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.526 0.679 . . . . 4.73 111.183 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -77.96 -15.39 59.02 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.033 -0.985 . . . . 2.01 109.662 174.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.442 ' HB1' ' HB1' ' A' ' 80' ' ' ALA . . . 61.55 59.18 1.9 Allowed 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 114.393 -1.276 . . . . 1.09 111.21 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 36.6 t -65.62 145.34 56.18 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.791 -0.818 . . . . 1.33 108.791 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -53.67 -42.68 68.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.65 0.262 . . . . 2.1 111.371 -169.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.61 -30.5 70.8 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.161 -0.472 . . . . 1.58 111.522 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' B' ' 18' ' ' SER . 56.5 mt-10 -68.85 -37.36 79.08 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.192 0.52 . . . . 1.54 110.594 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.523 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.8 mt -67.98 -50.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.681 -0.69 . . . . 0.44 109.794 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.4 -29.64 69.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.506 -0.77 . . . . 0.2 110.751 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -55.8 -51.57 67.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.31 110.921 176.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 74' ' ' PHE . 50.8 mt -68.86 -34.93 76.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.307 . . . . 0.46 110.969 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 22' ' ' ILE . 63.5 mt -60.12 -52.26 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.101 -0.5 . . . . 0.27 110.93 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.75 -30.13 40.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 121.082 -0.247 . . . . 0.23 110.766 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.13 -41.86 98.67 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.886 -0.413 . . . . 1.58 109.886 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.504 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.4 t80 -63.56 -48.99 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 1.25 110.776 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -59.78 -40.93 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 1.22 110.853 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 t -66.5 -35.19 79.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.367 -0.379 . . . . 1.15 110.177 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.9 t -64.74 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 0.99 110.499 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.504 HG13 ' O ' ' B' ' 29' ' ' TYR . 55.8 mt -63.2 -49.76 81.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.44 110.613 178.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.68 -23.75 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.434 -0.348 . . . . 0.47 110.852 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -58.96 -39.17 80.88 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.998 -0.546 . . . . 2.22 110.971 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -101.83 2.9 38.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 2.08 110.904 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 tptp 53.55 58.07 5.53 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.297 -0.865 . . . . 2.6 110.329 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -84.65 -32.39 23.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.999 0.904 . . . . 2.11 109.197 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.485 HD11 ' HB1' ' A' ' 57' ' ' ALA . 16.5 tt -103.8 155.1 5.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 114.528 -1.214 . . . . 0.52 110.679 -173.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 t -81.11 179.33 7.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.084 -0.507 . . . . 1.82 110.815 -178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -58.82 -50.71 72.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.759 -171.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -56.41 -47.8 78.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 2.29 110.979 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.467 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -65.24 -43.66 94.98 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.899 -0.667 . . . . 0.39 112.26 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -46.47 89.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.38 110.79 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.88 -39.43 87.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 1.84 111.328 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.5 p -70.0 -31.67 69.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.98 110.601 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 64.0 mt -67.6 -26.94 66.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.71 0.29 . . . . 0.41 110.596 174.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.08 -49.13 63.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.471 -0.331 . . . . 0.48 111.047 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.95 -34.01 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.36 110.216 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.553 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -67.71 -33.01 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.37 110.567 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 22.4 tpp -57.83 -52.04 67.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.969 -0.56 . . . . 0.65 110.663 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.03 -27.97 69.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.99 111.066 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 72.3 m -69.67 -45.52 68.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.278 -0.419 . . . . 1.05 110.398 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.553 HG13 ' O ' ' B' ' 50' ' ' ALA . 58.2 mt -63.94 -48.9 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.42 . . . . 0.33 110.73 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.546 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 29.0 p -61.97 -49.07 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.8 111.306 -176.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -68.87 -22.68 64.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 2.66 110.922 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.503 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -70.82 -47.34 59.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.064 -0.517 . . . . 0.41 111.356 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.446 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 77.0 m-85 -87.03 -27.09 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.103 0.409 . . . . 1.24 112.103 -174.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.57 4.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.272 -0.966 . . . . 0.42 113.402 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.546 ' O ' ' HB2' ' B' ' 55' ' ' SER . 41.2 p90 -138.2 149.23 45.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.252 -0.648 . . . . 1.23 109.252 176.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -85.87 159.51 19.67 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 121.13 -0.228 . . . . 2.33 110.557 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.674 ' O ' HG12 ' B' ' 65' ' ' VAL . 46.4 ttp180 -54.63 -49.12 71.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.564 0.221 . . . . 3.67 111.076 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.87 -8.5 49.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.015 0.376 . . . . 3.19 112.015 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.65 -12.49 48.28 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.537 0.199 . . . . 0.66 111.537 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 62' ' ' ARG . 11.2 p -65.15 -30.98 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.766 0.317 . . . . 0.53 110.734 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.0 t -61.72 -40.71 96.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 1.63 110.367 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.1 -37.05 86.82 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.943 -0.646 . . . . 0.74 111.941 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.85 -48.89 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.7 110.14 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' B' ' 75' ' ' LYS . 86.1 mt -73.95 0.97 11.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.883 -0.599 . . . . 1.13 111.569 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 -44.38 4.85 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.524 -0.846 . . . . 1.24 111.181 172.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -84.6 -41.93 15.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.807 -0.197 . . . . 3.15 111.407 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -67.43 151.85 46.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.179 0.514 . . . . 2.02 111.706 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 88' ' ' ARG . 7.3 mm-40 -71.23 -14.07 62.12 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 115.337 -0.847 . . . . 2.64 111.043 -177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.62 ' CE1' ' HB3' ' A' ' 83' ' ' LEU . 64.6 m-85 -73.05 -51.05 19.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.902 -0.59 . . . . 1.7 110.482 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 24.4 mtpp 61.84 -169.66 0.17 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.42 -0.809 . . . . 2.85 111.462 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.434 ' HA2' HD13 ' B' ' 69' ' ' LEU . . . -63.18 -86.73 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.063 -0.589 . . . . 2.43 112.593 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 52.82 -157.96 0.15 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.284 0.564 . . . . 3.28 111.138 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -128.33 125.65 39.17 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.267 -0.642 . . . . 1.95 109.267 173.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' B' ' 25' ' ' LEU . 61.5 tp -55.57 -33.07 63.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.173 -0.922 . . . . 0.6 111.563 -174.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.418 ' HB1' ' HB1' ' A' ' 17' ' ' ALA . . . -63.87 -48.77 75.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.273 -0.421 . . . . 0.63 111.305 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -61.35 -41.28 96.8 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.497 0.665 . . . . 2.3 110.252 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.47 -47.24 82.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 114.845 -1.07 . . . . 0.61 110.697 175.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.616 ' HB3' ' CE1' ' A' ' 74' ' ' PHE . 5.8 mp -68.06 -34.89 77.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.615 . . . . 0.83 111.191 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.77 -14.14 62.27 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.88 0.372 . . . . 1.83 111.205 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -82.17 -7.96 59.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.201 -0.454 . . . . 1.5 111.076 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.67 -174.05 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 1.7 110.894 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 16.9 p -153.26 155.76 37.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.381 -0.372 . . . . 3.09 110.708 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.494 ' HB3' ' O ' ' A' ' 73' ' ' GLU . 13.9 ptm180 -96.12 151.54 19.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.125 -0.324 . . . . 5.55 110.125 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.21 93.78 10.05 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.22 -0.659 . . . . 3.58 109.22 174.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 64.3 Cg_endo -92.7 119.77 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.83 2.354 . . . . 3.95 113.591 -176.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.69 26.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.289 0.566 . . . . 5.08 110.027 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.473 -0.775 . . . . 4.13 110.063 -179.556 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 121.001 0.429 . . . . 6.45 110.666 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.6 mtm -58.05 -55.02 40.33 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.023 -0.535 . . . . 4.73 112.353 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.3 m -136.06 159.57 41.31 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.198 0.523 . . . . 2.01 111.02 -174.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.85 69.5 1.48 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.035 -0.984 . . . . 1.09 109.65 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 23.3 t -76.19 162.64 27.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.785 -0.643 . . . . 1.32 110.182 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -61.01 -51.72 68.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.771 0.319 . . . . 2.1 111.254 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.36 -29.65 70.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 1.57 111.476 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HG21 ' A' ' 68' ' ' ILE . 52.0 mt-10 -67.46 -43.75 80.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.358 0.599 . . . . 1.54 110.103 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' O ' HG13 ' A' ' 26' ' ' ILE . 43.8 mt -65.5 -48.18 83.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.282 -0.872 . . . . 0.44 110.001 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -30.12 69.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.448 -0.796 . . . . 0.2 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -52.77 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.31 111.058 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 79' ' ' LEU . 33.4 mt -67.66 -34.23 76.52 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.998 -0.281 . . . . 0.46 110.926 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.6 mt -61.5 -53.16 52.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.27 110.979 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.3 -32.19 52.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 121.136 -0.226 . . . . 0.24 110.949 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -64.42 -39.55 94.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.518 -0.31 . . . . 1.59 110.441 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 33' ' ' ILE . 51.2 t80 -60.93 -48.76 80.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.558 -0.292 . . . . 1.25 110.404 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -61.15 -38.44 86.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.866 0.365 . . . . 1.22 110.375 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.93 -40.56 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.556 . . . . 1.15 110.085 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 m -64.22 -34.12 77.37 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.98 0.419 . . . . 0.99 110.702 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 60.7 mt -65.72 -50.98 67.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.874 -0.603 . . . . 0.43 110.939 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.06 -21.19 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.358 -0.383 . . . . 0.47 111.616 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.83 -59.21 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 2.22 110.874 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' A' ' 38' ' ' GLU . 21.6 pttm -96.19 12.31 31.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.258 0.551 . . . . 2.08 111.522 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.5 64.66 1.29 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 114.937 -1.029 . . . . 2.6 111.702 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 27.7 mm-40 -93.97 -14.19 26.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.514 0.673 . . . . 2.12 109.903 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.1 tt -113.35 167.36 6.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.22 -0.9 . . . . 0.51 109.835 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 p -69.77 163.13 26.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.769 -0.196 . . . . 1.82 110.495 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.25 -46.45 88.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 2.19 110.442 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -59.16 -44.47 92.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.778 -0.646 . . . . 2.3 110.527 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.98 -37.31 94.44 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.872 -0.68 . . . . 0.39 112.197 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.12 96.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.642 0.258 . . . . 0.38 110.776 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.3 -37.21 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.84 110.654 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.3 -40.09 93.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.955 -0.566 . . . . 0.98 110.031 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.36 -27.11 68.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.361 -0.381 . . . . 0.41 111.182 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.68 -53.53 45.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.518 -0.31 . . . . 0.48 110.826 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.52 -34.13 66.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-O 120.893 0.378 . . . . 0.36 110.238 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.662 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -60.33 -44.78 95.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.37 110.547 176.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.0 ttm -65.94 -35.98 82.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.779 -0.646 . . . . 0.65 111.345 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -61.38 -42.41 98.68 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.283 -0.636 . . . . 1.99 109.283 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 64.0 m -69.5 -38.47 77.65 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.249 -0.887 . . . . 1.05 111.265 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 50' ' ' ALA . 54.8 mt -59.1 -50.0 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.25 0.548 . . . . 0.34 109.756 176.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.501 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 14.2 m -63.34 -41.63 98.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.463 -0.79 . . . . 0.8 110.669 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.36 -43.19 91.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.589 -0.732 . . . . 2.66 111.505 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -44.5 86.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.015 -0.539 . . . . 0.42 111.663 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.99 -20.31 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.096 0.474 . . . . 1.24 111.454 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.88 44.57 7.64 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.763 -0.653 . . . . 0.43 113.128 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 9.1 p90 -139.36 153.25 47.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 122.604 -0.351 . . . . 1.22 110.272 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -82.52 147.88 28.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.038 -0.528 . . . . 2.33 110.648 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.7 mtt180 -65.48 -17.39 64.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.533 -0.758 . . . . 3.67 110.628 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -86.68 -12.54 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.333 -0.394 . . . . 3.2 110.94 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -83.51 -16.81 44.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.67 111.253 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.5 p -56.28 -39.3 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.328 -0.396 . . . . 0.54 111.721 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 m -61.38 -44.57 96.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 1.63 111.026 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.62 90.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.827 -0.701 . . . . 0.76 112.079 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' ALA . 74.9 mt -61.94 -45.6 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.802 0.334 . . . . 0.71 110.759 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.34 -6.79 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 1.14 111.628 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.37 -42.71 2.91 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.516 -0.85 . . . . 1.25 111.685 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.59 -51.22 9.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.881 0.372 . . . . 3.16 111.661 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.5 m -71.11 164.71 25.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.734 0.778 . . . . 2.02 112.485 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -69.93 -6.76 35.16 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.468 -1.242 . . . . 2.64 111.574 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -87.0 22.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 1.7 110.421 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.11 56.62 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.534 -0.757 . . . . 2.85 110.952 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.04 -33.67 1.48 Allowed Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.575 -0.739 . . . . 2.42 111.643 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 77' ' ' GLN . 13.4 mm-40 68.81 166.87 0.27 Allowed 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.134 0.573 . . . . 3.28 112.015 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.3 m170 57.37 82.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.457 -0.792 . . . . 1.96 110.97 -175.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.3 tp -52.04 -43.52 63.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.433 -0.803 . . . . 0.6 111.265 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.69 91.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.369 -0.378 . . . . 0.63 111.135 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.7 -40.84 89.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.59 . . . . 2.3 110.21 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.72 -46.12 97.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.187 -0.915 . . . . 0.61 111.535 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' B' ' 83' ' ' LEU . 10.6 mp -69.89 -40.03 75.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.775 0.321 . . . . 0.83 111.096 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.04 -21.98 64.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.076 0.465 . . . . 1.83 110.522 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 t -71.22 -22.44 62.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.975 -0.557 . . . . 1.5 110.475 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.43 97.11 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.09 0.471 . . . . 1.71 109.834 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.9 m -77.57 101.11 6.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.604 . . . . 3.09 110.922 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -102.04 132.96 47.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.849 -0.614 . . . . 5.55 110.627 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.2 t -84.41 124.8 73.2 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.854 -0.612 . . . . 3.58 109.87 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.09 70.35 1.76 Allowed 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.878 2.385 . . . . 3.95 112.24 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.26 149.3 47.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.741 -0.663 . . . . 5.08 110.605 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.731 -0.652 . . . . 4.12 110.071 -179.432 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' B' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.911 0.386 . . . . 6.44 110.642 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.7 mtm -57.9 -54.99 40.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.979 -0.555 . . . . 4.73 112.394 -175.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.5 m -136.42 159.45 41.74 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.159 0.504 . . . . 2.01 111.058 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.74 69.47 1.48 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.965 -1.016 . . . . 1.09 109.708 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.416 ' HB3' ' HG3' ' B' ' 21' ' ' GLU . 23.0 t -76.14 162.43 28.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.265 -177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -60.97 -51.69 68.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 2.1 111.221 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.34 -29.65 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 1.58 111.617 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HA ' HG21 ' B' ' 68' ' ' ILE . 52.5 mt-10 -67.31 -44.17 79.85 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.608 0.718 . . . . 1.54 110.115 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.512 ' O ' HG13 ' B' ' 26' ' ' ILE . 44.4 mt -65.07 -48.37 84.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.111 -0.95 . . . . 0.44 109.878 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -30.17 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.56 -0.745 . . . . 0.2 111.184 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.02 62.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.945 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' B' ' 79' ' ' LEU . 34.0 mt -67.2 -34.32 77.25 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.738 -0.385 . . . . 0.46 111.109 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 22' ' ' ILE . 61.3 mt -61.47 -53.14 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.325 -0.398 . . . . 0.27 111.01 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.24 -32.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.615 0.245 . . . . 0.23 111.062 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -64.3 -39.78 94.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.479 -0.328 . . . . 1.58 110.382 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' B' ' 33' ' ' ILE . 51.0 t80 -60.77 -48.7 80.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 1.25 110.484 177.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -61.16 -38.37 86.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 1.22 110.411 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -62.92 -40.69 98.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.013 -0.539 . . . . 1.15 110.102 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.8 m -63.95 -34.59 78.32 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.108 0.48 . . . . 0.99 110.632 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.513 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 60.4 mt -65.39 -50.94 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.716 -0.675 . . . . 0.44 110.911 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -77.31 -20.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.695 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.23 -59.24 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.918 0.389 . . . . 2.22 110.808 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.535 ' HG3' ' HG2' ' B' ' 38' ' ' GLU . 21.5 pttm -96.26 12.43 31.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.244 0.545 . . . . 2.08 111.518 -177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt 59.62 64.62 1.28 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.915 -1.038 . . . . 2.6 111.689 174.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.535 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 29.0 mm-40 -94.04 -14.03 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.414 0.626 . . . . 2.11 109.901 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.1 tt -113.42 167.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.315 -0.857 . . . . 0.52 109.844 -177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 30.4 p -69.93 163.22 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.523 -0.177 . . . . 1.82 110.523 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.25 -46.71 87.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.829 0.347 . . . . 2.19 110.405 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -58.98 -44.65 91.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.784 -0.644 . . . . 2.29 110.47 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -37.4 94.63 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.39 112.167 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.88 -44.18 96.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.38 110.84 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.28 -37.22 86.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 1.84 110.648 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -65.22 -40.1 93.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.995 -0.548 . . . . 0.98 109.981 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.52 -26.96 68.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.41 111.2 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -64.66 -53.68 43.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.537 -0.301 . . . . 0.48 110.853 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.41 -34.2 67.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 C-N-CA 120.798 -0.361 . . . . 0.36 110.223 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.66 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -60.29 -44.83 95.02 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.37 110.474 176.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 14.1 ttm -65.83 -36.14 82.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.606 . . . . 0.65 111.392 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -61.24 -42.45 98.65 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 63.7 m -69.33 -38.64 78.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.119 -0.946 . . . . 1.05 111.256 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.66 HG13 ' O ' ' B' ' 50' ' ' ALA . 54.2 mt -58.98 -50.01 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.243 0.544 . . . . 0.33 109.778 176.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 14.5 m -63.38 -41.68 98.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.441 -0.799 . . . . 0.8 110.614 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.14 -43.69 91.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.655 -0.702 . . . . 2.66 111.349 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.077 -0.51 . . . . 0.41 111.605 -177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.88 -20.06 33.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.427 -0.351 . . . . 1.24 111.366 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.44 44.93 7.67 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.166 -0.54 . . . . 0.42 113.043 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 9.4 p90 -139.67 153.33 47.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.978 0.389 . . . . 1.23 110.171 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.53 148.04 28.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 2.33 110.759 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.5 ' O ' HG12 ' B' ' 65' ' ' VAL . 79.0 mtt180 -66.02 -16.54 64.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.704 . . . . 3.67 110.679 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -87.17 -12.59 46.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.89 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.467 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -83.51 -16.75 44.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.339 -0.392 . . . . 0.66 111.279 -177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.5 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.4 p -56.27 -39.54 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.287 -0.415 . . . . 0.53 111.636 -176.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.3 m -61.21 -44.63 96.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.904 0.383 . . . . 1.63 111.137 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.47 -39.75 91.22 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.927 -0.654 . . . . 0.74 111.991 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 64' ' ' ALA . 74.7 mt -61.88 -45.47 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.7 110.761 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.6 -6.71 42.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.311 -0.404 . . . . 1.13 111.648 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.36 -42.95 2.85 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.645 -0.788 . . . . 1.24 111.658 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -79.44 -51.21 9.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.69 0.281 . . . . 3.15 111.634 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 55.4 m -71.17 164.77 24.97 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.584 0.707 . . . . 2.02 112.572 -170.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.96 -6.82 35.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 114.557 -1.201 . . . . 2.64 111.452 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -86.91 22.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.907 -0.588 . . . . 1.7 110.402 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.26 56.62 1.72 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.554 -0.748 . . . . 2.85 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.14 -33.58 1.48 Allowed Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.572 -0.74 . . . . 2.43 111.706 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.482 ' OE1' ' HA ' ' B' ' 77' ' ' GLN . 13.5 mm-40 68.83 166.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.191 0.596 . . . . 3.28 112.001 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.2 m170 57.18 82.11 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.506 -0.77 . . . . 1.95 111.001 -175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.469 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.529 -0.76 . . . . 0.6 111.289 -177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.8 91.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.63 111.183 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.47 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 2.3 110.307 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.75 -46.04 97.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.128 -0.942 . . . . 0.61 111.657 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 83' ' ' LEU . 10.6 mp -69.89 -40.06 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.812 0.339 . . . . 0.83 111.119 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -67.94 -21.96 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.06 0.457 . . . . 1.83 110.476 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -71.27 -22.46 61.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 1.5 110.436 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.45 96.91 1.98 Allowed 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.105 0.479 . . . . 1.7 109.872 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 18.4 m -77.63 101.12 6.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.902 -0.59 . . . . 3.09 110.943 -175.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.4 mmm180 -102.07 132.8 47.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.821 -0.627 . . . . 5.55 110.657 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 62.3 t -84.22 124.89 73.52 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.069 -0.514 . . . . 3.58 109.871 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 89' ' ' VAL . 12.5 Cg_exo -70.09 70.31 1.77 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.819 2.346 . . . . 3.95 112.193 177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.09 149.49 47.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.797 -0.638 . . . . 5.08 110.597 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 60.3 m . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.622 -0.704 . . . . 4.13 110.14 -179.477 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.5 ptp . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 110.464 -0.199 . . . . 6.45 110.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.3 mtm 71.86 148.21 0.08 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.028 0.83 . . . . 4.73 112.026 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.3 m 62.68 37.75 12.54 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.396 -0.82 . . . . 2.01 111.666 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.9 59.88 3.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.347 0.594 . . . . 1.09 110.608 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.2 t -71.4 142.47 50.31 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.422 -0.808 . . . . 1.32 109.382 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -56.71 -30.34 63.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.441 -0.8 . . . . 2.1 111.956 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.94 -38.94 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 1.57 110.653 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -69.5 -46.74 65.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.284 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' ILE . 54.0 mt -60.18 -51.38 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.194 -0.912 . . . . 0.44 110.544 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.42 84.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.2 110.882 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.97 -43.31 99.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.31 110.938 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 87.8 mt -66.36 -38.49 87.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.342 -0.39 . . . . 0.46 110.694 176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 22' ' ' ILE . 87.9 mt -63.72 -52.14 61.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.27 111.227 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.17 -33.67 65.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.815 0.34 . . . . 0.24 110.721 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.41 -37.87 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 1.59 110.168 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' HG13 ' A' ' 33' ' ' ILE . 38.8 t80 -63.91 -49.88 70.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.429 -0.35 . . . . 1.25 110.492 177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.77 -37.42 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.451 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -35.04 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.15 110.127 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -68.68 -33.17 73.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.354 -0.384 . . . . 0.99 110.288 178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 29' ' ' TYR . 51.2 mt -63.1 -45.94 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 0.43 110.525 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.5 m -79.73 -21.99 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.251 -0.432 . . . . 0.47 110.973 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.47 -49.58 73.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.034 0.445 . . . . 2.22 110.113 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 10.1 ptpp? -86.93 -1.94 58.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.347 0.594 . . . . 2.08 110.454 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.59 52.85 13.26 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 114.501 -1.227 . . . . 2.6 111.269 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' HB2' ' HG3' ' A' ' 36' ' ' LYS . 3.6 tm-20 -84.82 -28.0 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.547 -0.909 . . . . 2.12 108.547 -178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 17.0 tt -90.9 156.16 3.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.707 -1.133 . . . . 0.51 110.176 -178.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.4 t -75.91 166.08 24.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 1.82 110.818 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -52.11 -50.78 60.97 Favored 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.276 0.36 . . . . 2.19 111.839 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -56.28 -44.77 80.12 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.206 -0.452 . . . . 2.3 110.937 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -68.62 -35.16 80.17 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.68 -0.771 . . . . 0.39 112.181 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.93 81.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.627 0.251 . . . . 0.38 110.922 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -64.26 -35.22 80.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.157 0.503 . . . . 1.84 110.529 177.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 t -65.92 -38.0 87.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.643 -0.708 . . . . 0.98 110.455 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 -26.16 65.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.507 -0.315 . . . . 0.41 111.178 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -66.33 -55.35 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.499 -0.319 . . . . 0.48 110.746 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.31 -37.99 81.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 110.252 -0.277 . . . . 0.36 110.252 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -58.57 -46.28 87.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.37 110.408 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttm -62.3 -41.97 98.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.65 111.473 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -60.03 -44.08 94.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.084 -0.507 . . . . 1.99 109.753 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 84.4 m -66.79 -38.56 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.507 -0.77 . . . . 1.05 111.515 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 50' ' ' ALA . 61.9 mt -59.95 -51.13 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.265 0.555 . . . . 0.34 109.719 176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 m -63.71 -43.63 95.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.352 -0.84 . . . . 0.8 110.735 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.45 -35.38 79.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.643 . . . . 2.66 110.605 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -70.36 -48.2 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.809 -0.632 . . . . 0.42 111.788 -176.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -79.64 -22.9 42.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.949 0.404 . . . . 1.24 111.386 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.15 47.66 2.8 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.784 -0.722 . . . . 0.43 112.934 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -143.92 167.26 22.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.868 -0.419 . . . . 1.22 109.868 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -102.77 150.32 23.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.009 0.433 . . . . 2.33 110.444 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.28 -19.94 63.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.609 -0.723 . . . . 3.67 110.947 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.17 -7.33 59.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.941 -0.572 . . . . 3.2 110.462 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.0 8.99 24.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.112 -0.494 . . . . 0.67 111.166 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.33 -35.33 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.463 -0.335 . . . . 0.54 110.331 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 p -68.81 -28.42 66.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.104 0.478 . . . . 1.63 110.497 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.77 58.14 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.845 -0.616 . . . . 0.76 111.597 176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.84 -49.6 72.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.737 0.303 . . . . 0.71 110.211 176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 72' ' ' SER . 83.8 mt -74.03 4.69 5.11 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.178 -0.465 . . . . 1.14 111.702 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.53 -19.61 19.9 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.586 -0.816 . . . . 1.25 111.699 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.97 -14.74 12.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.849 0.357 . . . . 3.16 110.884 -177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 69' ' ' LEU . 59.1 p -72.26 161.78 30.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 2.02 111.071 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.48 23.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.175 0.512 . . . . 2.64 110.497 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -136.36 32.89 2.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.549 -0.75 . . . . 1.7 109.077 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -74.92 138.89 42.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.48 -0.782 . . . . 2.85 111.256 -175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.75 18.65 76.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.07 -0.586 . . . . 2.42 112.119 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.451 ' HG3' ' CB ' ' B' ' 88' ' ' ARG . 86.7 mm-40 -128.02 162.97 25.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.891 0.377 . . . . 3.28 110.805 -176.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -120.58 141.09 50.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.282 -0.417 . . . . 1.96 110.552 -178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 46.5 tp -52.43 -52.68 52.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.6 111.396 -175.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.07 87.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.848 -0.614 . . . . 0.63 111.921 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.54 -36.13 81.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 2.3 109.963 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 74.1 mt -60.18 -51.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 0.61 110.228 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.58 -31.53 72.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.915 -0.584 . . . . 0.83 111.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -64.71 -28.78 69.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 1.83 110.848 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.1 t -83.67 -9.84 58.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.076 -0.511 . . . . 1.5 110.597 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.42 159.84 16.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.71 110.844 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.5 t -163.52 110.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.404 -0.591 . . . . 3.09 109.404 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -124.23 99.13 6.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.387 -0.369 . . . . 5.55 110.714 -176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.7 t -119.86 85.86 34.92 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.447 -0.342 . . . . 3.58 110.331 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -69.84 106.65 1.71 Allowed 'Trans proline' 0 N--CA 1.46 -0.462 0 C-N-CA 122.902 2.401 . . . . 3.95 111.459 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -70.61 120.65 16.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.987 -0.551 . . . . 5.08 109.734 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.521 -0.752 . . . . 4.12 110.344 -176.508 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.399 -0.222 . . . . 6.44 110.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 70.4 mtm 71.64 148.46 0.08 Allowed 'General case' 0 C--O 1.235 0.316 0 C-N-CA 123.738 0.815 . . . . 4.73 112.054 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 m 62.36 38.08 13.3 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.306 -0.861 . . . . 2.01 111.642 176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 55.91 59.86 3.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.346 0.593 . . . . 1.09 110.589 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 34.4 t -71.4 142.35 50.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.577 -0.738 . . . . 1.33 109.362 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -56.68 -30.3 63.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.459 -0.791 . . . . 2.1 111.863 -175.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.0 -38.97 83.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.899 0.38 . . . . 1.58 110.634 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.45 -46.68 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.948 -0.569 . . . . 1.54 110.397 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.467 ' O ' HG13 ' B' ' 26' ' ' ILE . 54.2 mt -60.27 -51.3 74.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.141 -0.936 . . . . 0.44 110.552 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.86 -40.36 84.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.2 110.99 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.23 99.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 0.31 110.951 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 87.7 mt -66.42 -38.55 87.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.46 110.7 176.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.467 HG13 ' O ' ' B' ' 22' ' ' ILE . 87.7 mt -63.69 -52.16 60.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.27 111.22 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.28 -33.39 63.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.932 -0.307 . . . . 0.23 110.681 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -67.42 -38.19 84.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.342 -0.39 . . . . 1.58 110.098 178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.554 ' O ' HG13 ' B' ' 33' ' ' ILE . 39.1 t80 -63.62 -49.97 71.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.385 . . . . 1.25 110.515 177.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -61.71 -37.51 84.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.408 -0.36 . . . . 1.22 110.471 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -66.01 -34.94 79.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 1.15 110.172 177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -68.78 -32.96 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.321 -0.399 . . . . 0.99 110.43 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 29' ' ' TYR . 50.8 mt -63.32 -45.83 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.381 -0.372 . . . . 0.44 110.507 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.74 -22.03 12.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.256 -0.429 . . . . 0.47 110.965 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.4 -49.61 73.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.133 0.492 . . . . 2.22 110.187 177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -86.9 -1.9 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.347 0.594 . . . . 2.08 110.442 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 52.64 52.55 13.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 114.476 -1.238 . . . . 2.6 111.222 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -84.43 -28.22 27.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.492 -0.929 . . . . 2.11 108.492 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.475 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.9 tt -90.89 155.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 114.733 -1.121 . . . . 0.52 110.265 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -75.45 166.11 24.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.506 -0.316 . . . . 1.82 110.89 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -52.29 -50.71 61.62 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.319 0.387 . . . . 2.19 111.867 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -56.18 -44.96 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 2.29 110.894 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -68.58 -35.19 80.46 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.716 -0.754 . . . . 0.39 112.153 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.01 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.617 0.246 . . . . 0.38 110.978 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -64.18 -35.29 80.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.116 0.484 . . . . 1.84 110.415 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -66.02 -37.88 87.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.754 -0.657 . . . . 0.98 110.465 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 64.4 mt -68.77 -26.1 65.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.519 -0.31 . . . . 0.41 111.112 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -66.44 -55.33 16.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.32 . . . . 0.48 110.805 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.13 -38.05 81.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.36 110.227 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.677 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -58.62 -46.11 87.76 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.37 110.491 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 8.4 ttm -62.47 -41.89 99.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.754 -0.657 . . . . 0.65 111.509 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.02 -44.17 94.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.117 -0.492 . . . . 1.99 109.731 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 79.0 m -66.63 -38.68 87.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.595 -0.73 . . . . 1.05 111.513 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.677 HG13 ' O ' ' B' ' 50' ' ' ALA . 61.9 mt -59.86 -51.19 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.345 0.593 . . . . 0.33 109.64 176.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.6 m -63.59 -43.59 96.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.846 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -62.59 -35.15 78.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 2.66 110.571 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.426 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -70.46 -48.22 56.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.748 -0.66 . . . . 0.41 111.767 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -79.89 -22.6 42.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 1.24 111.375 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.18 47.29 2.87 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.785 -0.721 . . . . 0.42 112.87 175.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -143.74 167.1 23.07 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.898 -0.408 . . . . 1.23 109.898 175.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -102.67 150.29 23.59 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.9 0.381 . . . . 2.33 110.389 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -69.46 -19.7 63.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.633 -0.712 . . . . 3.67 110.947 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.14 -7.7 59.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.001 -0.545 . . . . 3.19 110.471 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -109.69 9.09 25.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.66 111.167 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.41 -35.33 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.53 110.368 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 14.2 p -68.73 -28.57 66.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.976 0.417 . . . . 1.63 110.421 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.78 -43.09 60.14 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.555 -0.618 . . . . 0.74 111.555 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.76 -49.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 110.132 -0.322 . . . . 0.7 110.132 176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.423 ' HA ' ' OG ' ' B' ' 72' ' ' SER . 83.8 mt -74.2 5.03 4.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 1.13 111.72 -178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.78 -19.67 19.15 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.613 -0.803 . . . . 1.24 111.519 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -113.84 -14.79 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.886 0.374 . . . . 3.15 110.873 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' B' ' 69' ' ' LEU . 60.0 p -72.18 161.77 30.41 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.124 -178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.34 23.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.202 0.525 . . . . 2.64 110.513 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -136.17 32.98 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.099 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.08 138.97 42.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.536 -0.757 . . . . 2.85 111.227 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.5 19.01 75.94 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.91 -0.586 . . . . 2.43 112.121 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -128.33 162.89 26.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.803 0.335 . . . . 3.28 110.712 -176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -120.6 141.06 50.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.135 -0.484 . . . . 1.95 110.554 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.448 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 46.6 tp -52.42 -52.6 53.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.987 0.422 . . . . 0.6 111.464 -175.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.07 87.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.589 . . . . 0.63 111.866 -175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.54 -36.2 82.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.235 0.54 . . . . 2.3 109.852 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.448 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 74.5 mt -60.19 -51.49 72.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.468 -0.787 . . . . 0.61 110.241 174.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.38 -31.59 72.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.874 -0.603 . . . . 0.83 111.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -64.61 -29.02 70.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.069 0.461 . . . . 1.83 110.852 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -84.03 -8.6 59.09 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.101 -0.499 . . . . 1.5 110.618 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.29 159.96 16.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.307 -0.406 . . . . 1.7 110.882 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 12.6 t -163.81 110.35 1.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.372 -0.603 . . . . 3.09 109.372 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.451 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 95.7 mtt180 -124.13 99.18 6.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.362 -0.381 . . . . 5.55 110.753 -175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 24.9 t -119.93 86.14 35.87 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.463 -0.335 . . . . 3.58 110.325 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.98 106.35 1.69 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.921 2.414 . . . . 3.95 111.459 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -69.98 120.71 16.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.999 -0.546 . . . . 5.08 109.811 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.442 -0.79 . . . . 4.13 110.445 -176.646 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' SER . 51.3 ttp . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.615 -0.513 . . . . 6.45 109.615 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' A' ' 14' ' ' MET . 67.5 mtm 71.96 -5.49 1.7 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.692 0.797 . . . . 4.73 110.281 -172.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 71.0 m -165.27 167.47 17.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.224 -1.399 . . . . 2.01 107.224 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.73 98.15 9.62 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.701 0.286 . . . . 1.09 110.357 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.11 161.03 27.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.467 -0.333 . . . . 1.32 110.695 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -57.54 -49.04 77.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.809 0.3 . . . . 2.1 111.809 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.6 -31.98 70.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.454 -0.339 . . . . 1.57 111.148 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.97 -43.25 99.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.288 0.566 . . . . 1.54 110.182 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' ILE . 67.8 mt -68.69 -48.07 73.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.364 -0.835 . . . . 0.44 110.57 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.48 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.885 -0.598 . . . . 0.2 111.103 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.98 -44.52 91.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.933 -0.576 . . . . 0.31 110.839 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 79.6 mt -69.48 -35.89 76.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.233 -0.44 . . . . 0.46 110.982 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ILE . 78.3 mt -63.39 -50.57 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.973 -0.558 . . . . 0.27 110.937 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.01 -31.12 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.967 -0.293 . . . . 0.24 110.572 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -62.51 -44.94 95.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.396 -0.365 . . . . 1.59 110.574 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 38.4 t80 -60.23 -50.99 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 1.25 110.707 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -63.86 -37.43 87.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.531 -0.304 . . . . 1.22 110.796 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.4 t -60.42 -45.77 92.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 1.15 110.135 177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 23.9 t -62.32 -40.2 95.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.229 -0.441 . . . . 0.99 110.288 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 29' ' ' TYR . 50.9 mt -58.02 -50.91 76.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.43 111.362 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.89 -19.71 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.94 0.4 . . . . 0.47 111.219 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.37 -56.72 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.205 -0.452 . . . . 2.22 110.892 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 32' ' ' SER . 21.4 ptmt -92.67 3.1 56.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 2.08 111.33 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.51 77.82 0.31 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.314 -0.857 . . . . 2.6 111.314 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HG2' ' HG3' ' A' ' 36' ' ' LYS . 25.4 mm-40 -109.24 1.76 20.43 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.503 -0.771 . . . . 2.12 109.909 176.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.539 HD11 ' HB1' ' B' ' 57' ' ' ALA . 13.8 tt -134.15 168.71 23.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.32 -0.854 . . . . 0.51 109.913 -177.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.5 p -72.39 165.07 25.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.974 0.171 . . . . 1.82 111.192 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -56.72 -47.4 80.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.995 0.426 . . . . 2.19 110.474 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.47 -41.46 93.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.3 111.026 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.24 -36.52 93.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.948 -0.644 . . . . 0.39 112.211 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.72 -33.99 74.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.073 0.464 . . . . 0.38 110.498 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -68.41 -45.34 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.466 -0.788 . . . . 1.84 111.165 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 p -67.86 -34.34 76.49 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.98 110.729 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.71 -29.19 69.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.41 111.153 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.98 -57.28 9.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.699 -0.228 . . . . 0.48 111.099 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.53 -33.82 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.123 0.487 . . . . 0.36 110.424 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.51 -38.88 92.55 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.37 110.663 176.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.8 ttm -69.14 -36.26 77.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.078 -0.51 . . . . 0.65 110.868 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -58.96 -41.36 87.27 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.076 -0.713 . . . . 1.99 109.076 173.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 85.7 m -65.07 -52.62 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.21 -0.904 . . . . 1.05 110.977 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 50' ' ' ALA . 53.3 mt -52.45 -52.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-O 121.16 0.505 . . . . 0.34 110.782 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.445 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -61.13 -49.29 77.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.523 -0.762 . . . . 0.8 111.299 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.21 -34.1 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 2.66 111.287 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -64.12 -41.12 97.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.317 -0.401 . . . . 0.42 111.257 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -85.64 -26.61 25.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.334 -0.394 . . . . 1.24 111.106 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.29 38.07 3.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.788 -0.72 . . . . 0.43 113.159 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 55' ' ' SER . 34.6 p90 -139.95 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.726 -0.472 . . . . 1.22 109.726 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.7 148.75 43.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.948 0.404 . . . . 2.33 110.476 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' O ' HG12 ' A' ' 65' ' ' VAL . 78.5 ttt180 -60.24 -21.24 61.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.433 -0.803 . . . . 3.67 112.1 -175.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.4 -18.72 58.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.818 0.342 . . . . 3.2 110.674 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -98.23 5.79 48.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.444 -0.344 . . . . 0.67 111.627 -176.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 62' ' ' ARG . 9.6 p -63.71 -35.79 74.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.601 -0.272 . . . . 0.54 111.624 -175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.8 t -66.68 -40.45 88.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 1.63 110.125 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.73 -40.11 98.17 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.094 -0.574 . . . . 0.76 111.692 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 64' ' ' ALA . 67.7 mt -64.89 -53.82 37.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.331 -0.248 . . . . 0.71 110.331 176.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 91.8 mt -62.73 -34.18 76.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.384 -0.371 . . . . 1.14 111.674 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.04 -33.07 84.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.918 -0.658 . . . . 1.25 112.539 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.64 -29.25 20.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.268 0.556 . . . . 3.16 110.354 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.3 m -78.82 164.02 24.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.762 -0.653 . . . . 2.02 110.662 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' ' 14' ' ' MET . 41.8 mt-10 -87.27 38.0 0.8 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.132 -0.485 . . . . 2.64 110.679 -177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -139.19 34.4 2.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.808 -0.633 . . . . 1.7 110.23 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 90' ' ' PRO . 20.4 pttp -88.95 151.43 22.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.892 -0.595 . . . . 2.85 110.872 -177.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.83 -51.57 4.59 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.208 -0.52 . . . . 2.42 112.461 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -89.29 141.69 28.32 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.626 0.25 . . . . 3.28 110.327 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -86.13 167.93 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.068 -0.715 . . . . 1.96 109.068 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 83' ' ' LEU . 46.8 tp -53.08 -46.45 68.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.198 0.523 . . . . 0.6 110.524 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.86 82.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.605 -0.725 . . . . 0.63 111.936 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -62.72 -41.05 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.545 0.688 . . . . 2.3 109.599 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.82 -48.5 87.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 114.889 -1.051 . . . . 0.61 110.944 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 79' ' ' LEU . 9.6 mp -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.514 . . . . 0.83 111.008 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 52.7 t30 -62.71 -25.79 68.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.294 0.569 . . . . 1.83 110.333 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.7 m -88.4 -10.18 50.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 1.5 110.703 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.45 39.36 2.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.307 -0.406 . . . . 1.71 111.312 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -74.64 95.79 2.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 3.09 110.214 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -86.39 123.47 31.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.891 -0.595 . . . . 5.55 110.698 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 5.9 p -55.88 119.87 29.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.221 -0.445 . . . . 3.58 111.651 -177.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 89' ' ' VAL . 2.9 Cg_exo -75.85 102.78 1.64 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.643 2.228 . . . . 3.95 111.956 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.18 177.29 5.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.474 -0.33 . . . . 5.08 110.232 178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.612 -0.709 . . . . 4.12 109.96 177.285 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.46 ' O ' ' HB2' ' B' ' 15' ' ' MET . 52.0 ttp . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.714 -0.476 . . . . 6.44 109.714 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.46 ' HB2' ' O ' ' B' ' 14' ' ' MET . 68.6 mtm 72.0 -5.42 1.72 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.654 0.782 . . . . 4.73 110.319 -172.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.443 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 67.5 m -165.03 167.77 18.05 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 107.213 -1.403 . . . . 2.01 107.213 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.86 98.42 9.8 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.695 0.283 . . . . 1.09 110.289 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.2 m -78.25 161.06 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.4 -0.364 . . . . 1.33 110.689 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -57.56 -49.12 77.41 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.749 0.277 . . . . 2.1 111.749 -173.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.53 -32.15 70.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.58 111.095 -176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.92 -43.27 99.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.295 0.569 . . . . 1.54 110.197 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 26' ' ' ILE . 67.0 mt -68.54 -48.28 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.42 -0.809 . . . . 0.44 110.527 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.44 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.2 111.14 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -44.63 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.31 110.87 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 79.0 mt -69.49 -35.82 75.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.279 -0.419 . . . . 0.46 110.927 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 22' ' ' ILE . 78.6 mt -63.48 -50.51 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.925 -0.579 . . . . 0.27 110.938 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -69.06 -31.13 49.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.853 -0.339 . . . . 0.23 110.575 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.47 -44.92 95.23 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.954 0.407 . . . . 1.58 110.572 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.503 ' CZ ' HD11 ' B' ' 33' ' ' ILE . 38.4 t80 -60.26 -51.05 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.939 -0.573 . . . . 1.25 110.691 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -63.73 -37.48 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.697 0.284 . . . . 1.22 110.879 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 35.3 t -60.44 -45.57 93.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 1.15 110.228 177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 23.6 t -62.38 -40.26 95.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.99 110.37 178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.503 HD11 ' CZ ' ' B' ' 29' ' ' TYR . 51.0 mt -58.08 -50.83 76.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.129 -0.487 . . . . 0.44 111.348 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.7 m -76.85 -19.86 14.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.813 0.34 . . . . 0.47 111.16 -176.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -72.49 -56.35 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.22 110.989 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' B' ' 32' ' ' SER . 21.4 ptmt -92.74 2.91 56.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 2.08 111.429 -177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 63.56 77.8 0.31 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.267 -0.878 . . . . 2.6 111.372 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 25.6 mm-40 -109.15 1.56 20.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.48 -0.782 . . . . 2.11 109.885 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.546 HD11 ' HB1' ' A' ' 57' ' ' ALA . 13.7 tt -133.99 168.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.215 -0.902 . . . . 0.52 109.925 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 55.1 p -72.3 165.13 25.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.962 0.164 . . . . 1.82 111.035 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.69 -47.49 79.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.001 0.429 . . . . 2.19 110.496 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.45 -41.5 93.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 2.29 110.96 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.44 93.43 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.801 -0.714 . . . . 0.39 112.188 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.297 0.57 . . . . 0.38 110.518 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.2 -45.42 73.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.471 -0.786 . . . . 1.84 111.228 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -67.95 -34.24 76.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.111 -0.495 . . . . 0.98 110.645 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 47' ' ' LEU . 39.2 mt -61.84 -29.3 70.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.41 111.208 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.77 -57.39 9.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.596 -0.275 . . . . 0.48 111.221 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.54 -33.48 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.034 0.445 . . . . 0.36 110.494 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.63 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.72 -38.81 92.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.093 -0.503 . . . . 0.37 110.591 176.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 16.7 ttm -69.25 -36.14 76.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 0.65 110.865 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.86 -41.25 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.207 -0.664 . . . . 1.99 109.207 173.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 86.2 m -65.34 -52.55 53.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.104 -0.953 . . . . 1.05 111.011 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.63 HG13 ' O ' ' B' ' 50' ' ' ALA . 53.9 mt -52.5 -52.81 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.071 0.463 . . . . 0.33 110.605 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.447 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -61.14 -49.51 76.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.8 111.129 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.0 -34.11 74.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 2.66 111.285 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.539 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -64.33 -40.75 96.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.41 111.204 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -85.82 -26.66 25.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 1.24 111.13 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.16 38.22 3.62 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.74 -0.743 . . . . 0.42 113.175 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.447 ' O ' ' HB3' ' B' ' 55' ' ' SER . 34.8 p90 -140.08 173.86 11.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -120.71 148.82 43.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.01 0.433 . . . . 2.33 110.403 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 78.6 ttt180 -60.16 -21.37 61.57 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.278 -0.874 . . . . 3.67 112.028 -175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -76.44 -18.55 58.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.824 0.345 . . . . 3.19 110.681 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.436 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -98.44 5.85 47.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.343 -0.39 . . . . 0.66 111.588 -176.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 9.6 p -63.63 -35.92 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 111.657 0.243 . . . . 0.53 111.657 -176.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 34.9 t -66.82 -40.32 88.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 1.63 110.166 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -63.72 -39.95 98.02 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.003 -0.618 . . . . 0.74 111.763 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.436 HG13 ' O ' ' B' ' 64' ' ' ALA . 67.5 mt -65.1 -53.63 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 110.355 -0.239 . . . . 0.7 110.355 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 91.9 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.689 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.02 -33.08 84.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.949 -0.643 . . . . 1.24 112.53 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -88.76 -29.35 19.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.099 0.476 . . . . 3.15 110.276 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -78.61 164.02 25.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.791 -0.641 . . . . 2.02 110.641 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' OE1' ' HA ' ' B' ' 14' ' ' MET . 41.9 mt-10 -87.22 37.96 0.79 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.129 -0.487 . . . . 2.64 110.718 -177.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -139.16 34.43 2.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.605 . . . . 1.7 110.286 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 20.3 pttp -88.93 151.26 22.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.837 -0.62 . . . . 2.85 110.892 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.11 -51.67 4.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.151 -0.547 . . . . 2.43 112.426 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -89.41 141.89 28.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.736 0.303 . . . . 3.28 110.253 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -86.19 168.02 14.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.157 -0.682 . . . . 1.95 109.157 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.428 ' O ' HD13 ' B' ' 83' ' ' LEU . 46.6 tp -53.06 -46.57 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.543 . . . . 0.6 110.474 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.8 82.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.629 -0.714 . . . . 0.63 111.868 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.77 -40.86 98.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.526 0.679 . . . . 2.3 109.727 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.93 -48.51 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.864 -1.062 . . . . 0.61 110.911 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.428 HD13 ' O ' ' B' ' 79' ' ' LEU . 9.6 mp -66.09 -35.52 80.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.83 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 52.7 t30 -62.83 -25.49 68.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.236 0.541 . . . . 1.83 110.323 177.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -89.13 -9.62 50.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.907 -0.588 . . . . 1.5 110.625 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.73 39.23 2.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.7 111.277 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . 0.402 ' HB3' ' OE1' ' A' ' 73' ' ' GLU . 19.9 m -74.58 95.67 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.032 0.444 . . . . 3.09 110.262 178.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -86.0 123.25 31.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 5.55 110.809 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' B' ' 90' ' ' PRO . 6.1 p -55.63 119.82 27.73 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 120.985 0.421 . . . . 3.58 111.717 -177.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.453 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 3.0 Cg_exo -75.84 102.89 1.66 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 3.95 111.967 177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.36 177.41 5.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.435 -0.348 . . . . 5.08 110.241 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.448 -0.787 . . . . 4.13 109.95 177.115 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' B' ' 84' ' ' ASN . 94.0 mtp . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 120.537 0.208 . . . . 6.45 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.427 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 21.7 mmt -75.45 -24.06 56.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.851 0.358 . . . . 4.73 110.758 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.8 p -155.97 162.22 40.39 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.1 -0.5 . . . . 2.01 109.737 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.2 62.19 1.43 Allowed 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.562 -0.744 . . . . 1.09 109.317 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -72.06 149.54 44.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.635 -0.711 . . . . 1.32 110.61 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.71 -45.64 49.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 123.227 0.329 . . . . 2.1 111.532 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.5 -38.58 91.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 1.57 111.629 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.352 0.596 . . . . 1.54 109.96 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.5 mt -64.2 -50.26 77.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.063 -0.971 . . . . 0.44 110.521 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.55 70.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.752 -0.658 . . . . 0.2 111.5 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.62 88.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.974 -0.557 . . . . 0.31 111.124 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.03 -28.3 54.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.784 0.326 . . . . 0.46 110.852 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 22' ' ' ILE . 61.7 mt -64.86 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.007 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -27.0 37.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.834 0.349 . . . . 0.24 110.649 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.82 -44.44 94.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.59 110.573 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' HG13 ' A' ' 33' ' ' ILE . 42.0 t80 -62.24 -49.86 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 1.25 110.807 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.57 -41.36 85.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 1.22 110.983 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -68.22 -25.73 65.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 1.15 110.44 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 -30.19 44.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.429 -0.35 . . . . 0.99 110.848 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 29' ' ' TYR . 15.0 mt -68.48 -47.47 77.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.43 110.255 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.95 -25.11 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.47 111.004 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.89 -50.42 73.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 2.22 110.925 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -99.22 5.37 46.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.118 0.485 . . . . 2.08 111.566 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 56.45 58.85 3.94 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.042 -0.981 . . . . 2.6 111.017 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -100.11 0.13 40.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.927 0.87 . . . . 2.12 109.435 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -110.37 155.72 11.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.384 -1.28 . . . . 0.51 109.672 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.5 p -64.42 146.64 54.18 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.477 -0.329 . . . . 1.82 110.637 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.68 -47.95 63.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.809 0.338 . . . . 2.19 111.27 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.82 -49.35 78.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 2.3 110.791 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.88 -34.08 85.93 Favored Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.884 -0.598 . . . . 0.39 112.736 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.47 90.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.38 110.815 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.84 -35.48 74.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 1.84 110.164 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.8 m -62.39 -36.32 81.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.808 -0.633 . . . . 0.98 110.481 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 51' ' ' MET . 22.9 mt -73.85 -16.6 61.13 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.954 -0.298 . . . . 0.41 111.221 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.71 -47.3 40.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.643 0.258 . . . . 0.48 110.652 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -67.62 -34.81 70.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.36 109.706 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -68.3 -34.91 77.02 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.691 -0.686 . . . . 0.37 110.862 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.446 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 28.0 tpp -56.39 -45.28 80.66 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.948 -0.569 . . . . 0.65 110.729 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.71 -39.74 94.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 1.99 110.234 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.39 -41.94 96.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 1.05 111.364 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 50' ' ' ALA . 64.4 mt -62.38 -50.21 80.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.34 109.83 177.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 19.8 m -59.28 -42.58 91.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.698 . . . . 0.8 110.785 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.25 -39.75 94.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.748 -0.66 . . . . 2.66 111.216 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' HB1' HD11 ' B' ' 39' ' ' ILE . . . -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.42 112.029 -177.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 86.0 m-85 -102.96 -15.76 16.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 1.24 111.619 -176.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 34.44 9.25 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.863 -0.684 . . . . 0.43 113.538 174.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.516 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.6 p90 -132.06 172.7 12.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.017 0.409 . . . . 1.22 110.17 177.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -108.65 154.14 22.42 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.666 -0.494 . . . . 2.33 109.666 177.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.9 ttt180 -58.56 -43.38 89.33 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.107 -0.237 . . . . 3.67 110.915 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.74 9.26 1.52 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.936 0.347 . . . . 3.2 111.936 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.42 -2.44 14.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.66 -0.245 . . . . 0.67 111.265 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.2 p -64.04 -33.0 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.794 0.331 . . . . 0.54 110.689 -178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 t -58.11 -45.39 87.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.266 -0.425 . . . . 1.63 110.25 176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.0 -43.67 95.53 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 121.041 -0.599 . . . . 0.76 112.163 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 61.8 mt -59.84 -48.55 87.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.71 110.599 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 88.9 mt -62.09 -41.54 98.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 1.14 111.205 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.5 77.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.644 -0.789 . . . . 1.25 112.408 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.86 21.54 17.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.757 0.313 . . . . 3.16 111.503 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 91.6 p -99.8 158.67 15.63 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.846 0.355 . . . . 2.02 110.313 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' A' ' 15' ' ' MET . 51.9 mm-40 -92.64 20.73 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.739 0.781 . . . . 2.64 109.439 172.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.655 ' CE2' ' HB3' ' B' ' 83' ' ' LEU . 6.0 m-30 -109.25 -69.62 0.85 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.361 -1.29 . . . . 1.7 109.658 175.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 6.6 mtpm? 47.49 52.41 12.43 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 115.407 -0.815 . . . . 2.85 109.531 -176.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 82' ' ' ILE . . . -81.07 2.02 82.67 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 114.871 -1.059 . . . . 2.42 114.806 -166.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 69.51 -80.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.684 0.754 . . . . 3.28 111.083 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -135.5 126.31 27.42 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 114.451 -1.249 . . . . 1.96 110.121 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 26' ' ' ILE . 36.0 tp -59.76 -42.4 93.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.714 -1.13 . . . . 0.6 112.218 -174.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.419 -0.355 . . . . 0.63 111.698 -175.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -61.85 -37.01 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.444 0.64 . . . . 2.3 109.952 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.495 HD11 ' CA ' ' A' ' 76' ' ' GLY . 58.1 mt -64.21 -57.19 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.141 -0.936 . . . . 0.61 111.321 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.651 ' HB3' ' CE2' ' B' ' 74' ' ' PHE . 10.8 mp -61.4 -28.81 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.83 111.304 -176.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' O ' ' HA ' ' B' ' 14' ' ' MET . 44.6 t30 -57.5 -47.51 81.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.83 110.442 175.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.0 t -84.53 -9.61 58.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 1.5 111.108 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.26 68.58 1.09 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.102 0.477 . . . . 1.71 111.889 -175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.421 ' OG ' ' HG3' ' B' ' 14' ' ' MET . 57.1 m -92.58 130.83 38.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.0 -0.546 . . . . 3.09 109.877 174.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -106.15 128.57 54.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.188 0.518 . . . . 5.55 110.644 -176.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.35 87.76 48.67 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.826 -0.624 . . . . 3.58 109.932 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.18 148.02 55.09 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.811 2.341 . . . . 3.95 111.745 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -77.47 97.59 5.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.28 -0.418 . . . . 5.08 110.351 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--O 1.25 1.088 0 CA-C-N 115.79 -0.641 . . . . 4.12 109.311 -179.135 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.421 ' HG3' ' OG ' ' A' ' 87' ' ' SER . 94.4 mtp . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.572 0.225 . . . . 6.44 111.101 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.422 ' HB2' ' HG3' ' B' ' 73' ' ' GLU . 21.5 mmt -75.66 -24.03 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.377 . . . . 4.73 110.735 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 59.2 p -155.95 162.36 40.38 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.009 -0.541 . . . . 2.01 109.618 175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.31 62.06 1.43 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.463 -0.789 . . . . 1.09 109.247 173.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.8 m -71.94 149.7 44.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.645 -0.707 . . . . 1.33 110.649 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -49.9 -45.64 51.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.172 0.295 . . . . 2.1 111.425 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.45 -38.51 91.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.091 -0.504 . . . . 1.58 111.651 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -64.04 -43.21 96.22 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.614 0.721 . . . . 1.54 109.937 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.9 mt -63.94 -50.29 78.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 114.964 -1.016 . . . . 0.44 110.473 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.33 -31.46 70.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.883 -0.599 . . . . 0.2 111.472 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.87 89.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.547 . . . . 0.31 110.999 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.6 mt -76.46 -28.48 56.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.712 -0.395 . . . . 0.46 111.066 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 62.2 mt -64.73 -51.53 66.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.281 -0.418 . . . . 0.27 110.983 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -67.51 -26.95 36.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.808 0.337 . . . . 0.23 110.635 179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -59.79 -44.38 93.95 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.57 . . . . 1.58 110.544 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.58 ' O ' HG13 ' B' ' 33' ' ' ILE . 41.9 t80 -62.35 -49.76 74.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 1.25 110.852 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -58.55 -41.34 85.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 1.22 110.99 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -68.41 -25.56 65.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.064 -0.517 . . . . 1.15 110.496 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -78.71 -30.48 46.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.817 0.341 . . . . 0.99 110.782 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.58 HG13 ' O ' ' B' ' 29' ' ' TYR . 15.4 mt -68.4 -47.32 78.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.847 0.355 . . . . 0.44 110.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 m -71.09 -25.05 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.894 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.99 -50.5 73.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 2.22 110.876 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 pttm -99.23 5.67 46.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 2.08 111.63 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttm 56.15 58.93 3.98 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.098 -0.955 . . . . 2.6 111.044 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -100.43 0.41 39.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.831 0.824 . . . . 2.11 109.423 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.501 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.8 tt -110.59 155.5 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 114.409 -1.269 . . . . 0.52 109.734 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 29.4 p -64.2 146.56 54.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.439 -0.346 . . . . 1.82 110.694 178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.74 -47.78 63.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.982 0.42 . . . . 2.19 111.336 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.03 -49.37 77.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.765 -0.652 . . . . 2.29 110.734 177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.1 -33.93 86.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 0.39 112.763 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.94 -45.76 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 0.38 110.76 178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -69.78 -35.3 74.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.023 -0.535 . . . . 1.84 110.182 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.6 m -62.38 -36.36 82.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.98 110.504 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 51' ' ' MET . 23.5 mt -73.82 -16.69 61.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.002 -0.279 . . . . 0.41 111.211 177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -73.55 -47.38 41.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 0.48 110.717 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 p -67.59 -34.75 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.101 0.476 . . . . 0.36 109.755 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.525 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -68.4 -34.87 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.682 -0.69 . . . . 0.37 110.9 176.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.445 ' HB2' ' O ' ' B' ' 47' ' ' LEU . 28.0 tpp -56.43 -45.29 80.82 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.96 -0.564 . . . . 0.65 110.719 -178.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.58 -39.88 94.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.673 -0.694 . . . . 1.99 110.287 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 74.1 m -64.3 -41.97 96.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.96 -0.564 . . . . 1.05 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 50' ' ' ALA . 63.9 mt -62.24 -50.31 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.118 0.485 . . . . 0.33 109.84 177.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 19.9 m -59.32 -42.59 91.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.626 -0.716 . . . . 0.8 110.762 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.659 . . . . 2.66 111.174 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -61.44 -34.46 75.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.41 111.965 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.5 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 86.7 m-85 -102.96 -15.96 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.648 0.261 . . . . 1.24 111.472 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.86 34.64 8.84 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.937 -0.649 . . . . 0.42 113.388 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.518 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.2 p90 -132.29 172.68 12.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.08 0.44 . . . . 1.23 110.125 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -108.61 154.09 22.46 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.702 -0.481 . . . . 2.33 109.702 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.586 ' O ' HG12 ' B' ' 65' ' ' VAL . 76.8 ttt180 -58.65 -43.24 89.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.583 0.23 . . . . 3.67 110.843 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -73.88 9.24 1.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.826 0.306 . . . . 3.19 111.826 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.66 -2.31 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.672 -0.24 . . . . 0.66 111.251 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.586 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.2 p -64.06 -33.01 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.706 0.289 . . . . 0.53 110.742 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 43.8 t -58.08 -45.38 87.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.63 110.247 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.22 -43.44 95.36 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.882 -0.599 . . . . 0.74 112.152 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -48.52 87.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-O 120.609 0.242 . . . . 0.7 110.493 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' B' ' 75' ' ' LYS . 89.1 mt -62.02 -41.5 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 1.13 111.22 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.01 -30.73 78.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.712 -0.756 . . . . 1.24 112.346 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -108.59 21.37 17.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.832 0.348 . . . . 3.15 111.562 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 91.0 p -99.67 158.66 15.61 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.835 0.35 . . . . 2.02 110.343 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.422 ' HG3' ' HB2' ' B' ' 15' ' ' MET . 51.1 mm-40 -92.56 20.92 5.82 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.692 0.758 . . . . 2.64 109.51 172.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.651 ' CE2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 m-30 -109.41 -69.63 0.85 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.424 -1.262 . . . . 1.7 109.666 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' B' ' 69' ' ' LEU . 6.6 mtpm? 47.67 52.18 12.98 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.302 -0.863 . . . . 2.85 109.521 -176.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.497 ' CA ' HD11 ' B' ' 82' ' ' ILE . . . -81.01 2.01 82.54 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.028 -0.987 . . . . 2.43 114.617 -166.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 69.49 -80.3 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.537 0.684 . . . . 3.28 111.132 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -135.36 126.44 27.91 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.561 -1.199 . . . . 1.95 110.043 177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 26' ' ' ILE . 35.6 tp -59.84 -42.35 93.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.811 -1.086 . . . . 0.6 112.218 -174.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.3 95.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.399 -0.364 . . . . 0.63 111.644 -175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.77 -37.16 83.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 2.3 110.033 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.497 HD11 ' CA ' ' B' ' 76' ' ' GLY . 58.2 mt -64.07 -57.09 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 114.969 -1.014 . . . . 0.61 111.331 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.655 ' HB3' ' CE2' ' A' ' 74' ' ' PHE . 10.8 mp -61.44 -28.92 69.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.83 111.273 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' MET . 44.8 t30 -57.49 -47.7 81.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 1.83 110.386 175.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 33.9 t -84.79 -8.49 58.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 1.5 111.184 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.0 68.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.117 0.484 . . . . 1.7 111.84 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 55.2 m -92.66 130.73 38.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.024 -0.535 . . . . 3.09 109.924 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -106.12 128.34 53.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.165 0.507 . . . . 5.55 110.692 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.13 87.99 48.01 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.772 -0.649 . . . . 3.58 109.959 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -71.36 147.58 53.12 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.838 2.358 . . . . 3.95 111.931 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -77.02 97.48 4.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.961 0.41 . . . . 5.08 110.371 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.674 -0.693 . . . . 4.13 109.41 -179.107 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.055 0.455 . . . . 6.45 111.179 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.7 mmt -74.39 144.01 44.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.78 -0.646 . . . . 4.73 109.543 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 m -86.23 10.14 15.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.255 -0.429 . . . . 2.01 111.905 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.43 84.92 0.14 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.664 -0.698 . . . . 1.09 111.526 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -75.84 178.01 6.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.041 -0.527 . . . . 1.32 110.202 177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.88 -46.02 78.4 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.769 0.285 . . . . 2.1 111.769 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.95 -36.04 81.32 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.765 0.317 . . . . 1.57 110.956 -177.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.27 -42.64 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.211 0.529 . . . . 1.54 110.583 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' A' ' 26' ' ' ILE . 83.3 mt -68.9 -46.0 79.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.54 -0.754 . . . . 0.44 110.504 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.51 72.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.2 110.998 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.51 80.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.794 -0.639 . . . . 0.31 110.774 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HA ' ' HB3' ' A' ' 28' ' ' ASN . 23.0 mt -70.42 -32.22 69.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.584 -0.28 . . . . 0.46 111.306 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 22' ' ' ILE . 75.0 mt -62.7 -50.95 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.472 -0.331 . . . . 0.27 110.876 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.47 -25.72 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.24 110.431 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.5 t-20 -62.69 -36.24 82.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.789 -0.641 . . . . 1.59 110.717 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 33' ' ' ILE . 49.1 t80 -72.73 -46.77 51.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 1.25 110.836 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.9 -40.02 94.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.22 111.384 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 p -63.61 -32.33 73.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.334 -0.394 . . . . 1.15 110.895 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.6 m -66.62 -42.64 86.48 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.894 0.378 . . . . 0.99 110.436 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.523 HD11 ' CE2' ' A' ' 29' ' ' TYR . 54.9 mt -58.27 -49.78 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.821 -0.627 . . . . 0.43 111.149 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -74.14 -28.73 23.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.367 -0.379 . . . . 0.47 111.384 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.59 -48.41 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.636 0.255 . . . . 2.22 111.087 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -90.34 2.93 55.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 2.08 111.319 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp 57.19 54.94 6.32 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.483 -0.78 . . . . 2.6 110.588 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.83 -19.28 29.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.854 0.835 . . . . 2.12 108.968 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 16.0 tt -111.79 160.48 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.676 -1.147 . . . . 0.51 109.977 -177.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -78.39 170.11 17.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.697 -0.229 . . . . 1.82 111.245 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.79 -53.03 44.52 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.66 0.615 . . . . 2.19 112.66 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -60.86 -44.07 97.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 2.3 110.79 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.68 -39.73 97.83 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.755 -0.657 . . . . 0.39 112.526 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -47.46 84.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.38 110.634 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.12 -37.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 1.84 110.538 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 49' ' ' VAL . 12.4 t -61.97 -45.11 95.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.648 -0.706 . . . . 0.98 110.034 178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -22.08 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.519 -0.309 . . . . 0.41 111.205 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.69 -43.61 65.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.692 -0.231 . . . . 0.48 111.005 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 46' ' ' SER . 11.0 p -70.48 -31.13 45.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.448 -0.575 . . . . 0.36 109.448 177.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.666 ' HB2' ' SG ' ' B' ' 53' ' ' CYS . . . -66.69 -34.73 78.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.886 -0.597 . . . . 0.37 110.431 174.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.418 ' CA ' ' HE3' ' A' ' 51' ' ' MET . 0.0 OUTLIER -60.17 -53.46 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.65 109.886 179.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -62.51 -38.94 91.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.596 -0.729 . . . . 1.99 110.51 177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' B' ' 50' ' ' ALA . 10.7 t -55.3 -57.12 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.68 -0.691 . . . . 1.05 111.181 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.83 -37.58 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.34 110.534 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.8 m -60.46 -49.15 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.8 110.622 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.88 -47.6 71.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 2.66 111.0 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.42 112.229 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -93.93 -19.29 21.08 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.036 0.384 . . . . 1.24 112.036 -177.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.35 47.96 4.98 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.783 -0.722 . . . . 0.43 113.193 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -142.76 170.43 15.71 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.148 -0.316 . . . . 1.22 110.148 177.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -107.78 153.77 22.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.255 -0.43 . . . . 2.33 110.388 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 69.2 ttt180 -64.64 -20.31 66.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.735 -0.666 . . . . 3.67 111.179 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.06 -11.06 53.8 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.365 0.603 . . . . 3.2 110.472 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.56 48.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.056 -0.52 . . . . 0.67 111.325 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 6.0 p -60.38 -44.12 95.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.66 -0.245 . . . . 0.54 111.003 -178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.0 m -65.39 -32.63 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 1.63 110.687 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.03 -44.01 79.48 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.92 -0.657 . . . . 0.76 111.77 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.89 -39.75 86.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.961 0.41 . . . . 0.71 110.556 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 97.5 mt -66.37 -38.5 87.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.216 -0.447 . . . . 1.14 110.508 177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.49 -31.2 78.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 1.25 111.853 174.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.11 -39.32 75.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.205 0.526 . . . . 3.16 110.613 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 p -88.04 -166.98 1.73 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.863 -0.608 . . . . 2.02 111.393 -176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -76.98 -19.87 56.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.505 0.669 . . . . 2.64 109.88 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.401 ' CG ' HD11 ' A' ' 25' ' ' LEU . 14.2 m-85 -84.99 38.36 0.71 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.36 -0.837 . . . . 1.7 110.907 -170.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -59.39 -33.19 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.213 -0.903 . . . . 2.85 110.289 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.35 58.17 0.57 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.48 -0.782 . . . . 2.42 111.233 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.54 ' HG2' HH11 ' B' ' 88' ' ' ARG . 57.8 mm-40 -135.12 161.22 35.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.329 0.585 . . . . 3.28 111.395 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -127.48 129.65 47.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.063 -0.971 . . . . 1.96 108.391 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 59.4 tp -46.62 -54.68 9.01 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.802 0.667 . . . . 0.6 112.802 -170.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.85 78.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.389 -0.368 . . . . 0.63 111.966 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.93 -36.23 83.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.389 0.614 . . . . 2.3 110.154 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.1 mt -63.74 -49.06 83.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.206 -0.906 . . . . 0.61 110.485 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.15 -36.07 83.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.83 111.052 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.49 -34.52 74.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.692 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.0 m -83.08 -9.91 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.844 -0.616 . . . . 1.5 111.098 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.73 50.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.446 . . . . 1.71 111.004 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 p -82.62 146.77 28.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.016 -0.538 . . . . 3.09 110.36 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' B' ' 77' ' ' GLN . 6.3 ptm180 -168.08 149.4 5.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.469 -0.332 . . . . 5.55 110.447 -175.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.5 t -116.46 87.3 20.16 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.413 -0.358 . . . . 3.58 110.404 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 6.0 Cg_exo -78.63 87.28 1.56 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.851 2.367 . . . . 3.95 110.858 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -59.3 108.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 5.08 110.577 -177.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.379 -0.819 . . . . 4.12 110.432 -175.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.162 0.506 . . . . 6.44 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 24.6 mmt -74.34 144.44 44.46 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.826 -0.625 . . . . 4.73 109.474 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 42.5 m -86.64 10.18 16.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.191 -0.459 . . . . 2.01 111.731 -176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.34 85.06 0.14 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.761 -0.654 . . . . 1.09 111.512 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 m -75.85 177.75 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.114 -0.494 . . . . 1.33 110.224 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -55.68 -45.94 77.69 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.862 0.319 . . . . 2.1 111.862 -176.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -36.06 81.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.817 0.341 . . . . 1.58 111.034 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.02 -42.88 96.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.349 0.595 . . . . 1.54 110.66 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 26' ' ' ILE . 83.3 mt -68.84 -45.96 79.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.405 -0.816 . . . . 0.44 110.419 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.56 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.2 111.004 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -47.5 80.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.754 -0.657 . . . . 0.31 110.809 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.443 ' HA ' ' HB3' ' B' ' 28' ' ' ASN . 23.4 mt -70.19 -32.41 70.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.36 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.502 HG13 ' O ' ' B' ' 22' ' ' ILE . 75.1 mt -62.53 -51.11 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.27 110.894 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.32 -25.82 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.038 0.447 . . . . 0.23 110.501 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.443 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.8 t-20 -62.53 -36.49 82.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.829 -0.623 . . . . 1.58 110.685 175.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.531 ' CE2' HD11 ' B' ' 33' ' ' ILE . 49.2 t80 -72.53 -46.87 52.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.398 -0.365 . . . . 1.25 110.809 177.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -61.86 -39.97 93.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.426 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 12.0 p -63.63 -32.35 73.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.35 -0.386 . . . . 1.15 111.021 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 20.1 m -66.52 -42.47 87.25 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.93 0.395 . . . . 0.99 110.688 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.1 mt -58.48 -49.77 81.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.763 -0.653 . . . . 0.44 111.117 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -73.98 -28.93 24.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.375 -0.375 . . . . 0.47 111.3 -177.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.47 -48.27 75.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.687 0.279 . . . . 2.22 111.103 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -90.48 2.96 55.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.836 0.351 . . . . 2.08 111.239 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp 57.19 54.79 6.47 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.558 -0.746 . . . . 2.6 110.65 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -86.72 -19.27 29.42 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.836 0.827 . . . . 2.11 108.98 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.506 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 16.0 tt -112.04 160.07 11.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.604 -1.18 . . . . 0.52 110.008 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 16.2 m -78.01 170.36 16.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.826 -0.17 . . . . 1.82 111.245 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -52.02 -52.96 47.34 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.545 0.572 . . . . 2.19 112.545 -174.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -60.71 -44.2 96.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.836 0.35 . . . . 2.29 110.816 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.8 97.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.739 -0.664 . . . . 0.39 112.34 179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.82 -47.42 85.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.38 110.536 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.03 -37.64 88.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.919 -0.582 . . . . 1.84 110.569 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.509 ' O ' HG12 ' B' ' 49' ' ' VAL . 13.1 t -62.05 -45.19 94.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.619 -0.719 . . . . 0.98 110.01 178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.69 -22.27 65.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 0.41 111.311 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -71.61 -43.55 66.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.607 -0.27 . . . . 0.48 111.093 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.509 HG12 ' O ' ' B' ' 46' ' ' SER . 10.9 p -70.4 -31.18 45.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 N-CA-C 109.575 -0.528 . . . . 0.36 109.575 177.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -66.66 -34.67 78.38 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.814 -0.63 . . . . 0.37 110.474 174.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.427 ' CA ' ' HE3' ' B' ' 51' ' ' MET . 0.0 OUTLIER -60.34 -53.3 59.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.65 109.921 179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.52 -39.1 92.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.516 -0.765 . . . . 1.99 110.545 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 t -55.2 -57.18 12.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.747 -0.66 . . . . 1.05 111.225 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 77.5 mt -61.74 -37.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.33 110.535 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 39.4 m -60.3 -49.22 78.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.8 110.592 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.85 -47.66 71.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 2.66 111.03 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.2 98.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.578 . . . . 0.41 112.17 -175.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -93.73 -19.32 21.18 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.021 0.378 . . . . 1.24 112.021 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.4 47.87 5.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.845 -0.693 . . . . 0.42 113.201 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.53 170.55 15.5 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.042 -0.355 . . . . 1.23 110.042 177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.02 153.7 22.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.233 -0.44 . . . . 2.33 110.451 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.412 ' O ' HG12 ' B' ' 65' ' ' VAL . 69.1 ttt180 -64.64 -20.29 66.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 3.67 111.107 -178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -86.23 -11.03 53.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.369 0.604 . . . . 3.19 110.251 177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.62 -0.46 48.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.125 -0.489 . . . . 0.66 111.299 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -60.51 -44.21 95.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.662 -0.244 . . . . 0.53 110.945 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 59.9 m -65.19 -32.8 74.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 1.63 110.592 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.86 -44.07 80.94 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.905 -0.664 . . . . 0.74 111.826 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.4 mt -64.9 -39.74 86.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.006 0.431 . . . . 0.7 110.585 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 97.5 mt -66.38 -38.52 87.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.243 -0.435 . . . . 1.13 110.492 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.45 -31.19 78.07 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.728 . . . . 1.24 111.887 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -70.01 -39.45 75.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 3.15 110.583 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -87.97 -167.14 1.78 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 2.02 111.377 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.81 -19.82 57.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.541 0.686 . . . . 2.64 109.91 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -85.01 38.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.362 -0.835 . . . . 1.7 110.942 -170.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.53 -32.98 70.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.249 -0.887 . . . . 2.85 110.275 -177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.47 57.75 0.57 Allowed Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.325 -0.852 . . . . 2.43 111.519 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.507 ' HG2' HH11 ' A' ' 88' ' ' ARG . 58.2 mm-40 -134.71 161.33 35.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.199 0.524 . . . . 3.28 111.381 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -127.55 129.72 47.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.013 -0.994 . . . . 1.95 108.376 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 59.6 tp -46.72 -54.65 9.24 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.832 0.678 . . . . 0.6 112.832 -170.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.03 -35.98 78.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.365 -0.38 . . . . 0.63 111.96 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.81 -36.23 83.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.251 0.548 . . . . 2.3 110.106 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 58.2 mt -63.79 -49.09 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.61 110.426 175.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mp -65.14 -36.12 83.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.108 -0.496 . . . . 0.83 110.958 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -60.47 -34.44 74.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.127 0.489 . . . . 1.83 110.604 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 17.2 m -83.26 -9.5 59.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.857 -0.61 . . . . 1.5 111.113 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.22 50.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.106 0.479 . . . . 1.7 110.921 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 6.9 p -82.89 146.63 28.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.949 -0.568 . . . . 3.09 110.374 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' A' ' 77' ' ' GLN . 6.2 ptm180 -167.93 149.56 5.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.312 -0.403 . . . . 5.55 110.412 -175.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.54 86.89 19.24 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 3.58 110.539 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 5.9 Cg_exo -78.34 87.22 1.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.843 2.362 . . . . 3.95 110.843 176.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.4 108.12 0.67 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.863 -0.608 . . . . 5.08 110.599 -177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.543 -0.742 . . . . 4.13 110.26 -175.915 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' ' 16' ' ' SER . 23.7 ptm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.913 -0.403 . . . . 6.45 109.913 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.2 mtp 66.54 -3.77 0.82 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.455 0.702 . . . . 4.73 110.965 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 14' ' ' MET . 51.3 m -160.04 163.52 33.91 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.325 -1.361 . . . . 2.01 107.325 177.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.63 94.07 6.46 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 120.788 0.327 . . . . 1.09 110.323 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.4 m -76.41 158.77 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.219 -0.446 . . . . 1.32 110.281 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.7 -54.01 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 2.1 111.164 -176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.15 -36.83 80.84 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.916 -0.584 . . . . 1.57 111.662 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.06 -42.73 84.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.039 0.447 . . . . 1.54 111.009 -176.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.2 mt -66.28 -48.05 82.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.748 -0.66 . . . . 0.44 110.229 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.41 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.2 110.657 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.98 76.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.717 -0.674 . . . . 0.31 111.096 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 74' ' ' PHE . 88.1 mt -66.55 -39.67 88.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.17 -0.468 . . . . 0.46 110.988 179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 22' ' ' ILE . 80.8 mt -62.61 -50.98 77.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.27 111.321 -179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.38 -35.61 74.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.948 -0.301 . . . . 0.24 110.97 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -70.72 -31.44 68.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.756 0.313 . . . . 1.59 110.369 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' A' ' 33' ' ' ILE . 34.5 t80 -66.29 -52.1 50.79 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.05 -0.352 . . . . 1.25 110.05 175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -59.49 -38.17 80.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.916 0.388 . . . . 1.22 110.569 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.0 t -63.61 -42.26 98.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.883 -0.598 . . . . 1.15 110.782 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 p -75.94 -20.93 57.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.679 0.276 . . . . 0.99 111.124 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' A' ' 29' ' ' TYR . 55.1 mt -65.83 -54.6 25.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.052 0.453 . . . . 0.43 110.138 174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.3 m -71.88 -20.72 20.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.919 -0.582 . . . . 0.47 110.881 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.41 -49.16 74.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.815 -0.63 . . . . 2.22 111.037 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.63 16.7 24.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.429 . . . . 2.08 111.684 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 55.4 68.38 0.87 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.223 -0.899 . . . . 2.6 111.39 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -106.34 5.66 29.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.649 -0.705 . . . . 2.12 109.99 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.481 HD11 ' HB1' ' B' ' 57' ' ' ALA . 14.8 tt -137.3 159.81 35.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.073 -0.967 . . . . 0.51 110.047 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -66.6 152.79 44.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.394 . . . . 1.82 110.842 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -51.43 -47.83 62.88 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.737 0.303 . . . . 2.19 111.404 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.36 -46.7 83.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.874 -0.603 . . . . 2.3 110.725 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -66.41 -35.14 89.74 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.794 -0.639 . . . . 0.39 112.521 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.74 -41.33 90.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.206 0.527 . . . . 0.38 110.219 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.15 -42.61 84.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.399 -0.818 . . . . 1.84 110.463 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.9 m -60.64 -38.72 85.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.966 -0.561 . . . . 0.98 110.82 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.8 mt -64.11 -27.47 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.41 111.557 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.37 -54.22 22.46 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.061 -0.256 . . . . 0.48 111.158 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.94 -35.9 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-O 120.967 0.413 . . . . 0.36 110.286 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.663 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -61.89 -42.94 99.67 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.37 110.736 177.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.9 ttm -63.7 -40.39 96.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.068 -0.515 . . . . 0.65 111.529 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.13 -38.19 87.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.629 -0.508 . . . . 1.99 109.629 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' B' ' 50' ' ' ALA . 68.1 m -72.06 -34.81 69.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.503 -0.771 . . . . 1.05 111.197 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 50' ' ' ALA . 56.3 mt -62.67 -48.46 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 N-CA-C 109.426 -0.583 . . . . 0.34 109.426 174.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.678 ' HA ' ' CE1' ' A' ' 60' ' ' PHE . 19.2 m -61.97 -44.84 95.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.345 -0.843 . . . . 0.8 110.47 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.51 -37.19 82.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.579 -0.737 . . . . 2.66 110.816 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -66.75 -51.57 54.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 0.42 112.059 -176.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -85.51 -6.67 59.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.775 0.321 . . . . 1.24 111.671 -176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.14 42.38 19.47 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.996 -0.621 . . . . 0.43 112.898 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 4.4 p90 -139.29 -177.68 5.03 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.59 -0.522 . . . . 1.22 109.59 178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -118.82 151.53 37.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.91 0.386 . . . . 2.33 110.84 -178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 65' ' ' VAL . 44.4 ttp180 -62.93 -23.17 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.549 -0.751 . . . . 3.67 110.347 177.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -87.44 -14.47 40.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.107 -0.497 . . . . 3.2 110.626 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.92 -3.79 57.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.67 111.111 -177.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.1 p -60.09 -33.76 54.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.54 110.841 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.1 m -64.94 -37.62 88.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 1.63 110.868 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.08 -39.9 72.9 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.847 -0.692 . . . . 0.76 111.844 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -65.17 -52.17 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.71 110.527 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 75' ' ' LYS . 83.5 mt -66.73 -13.88 61.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 1.14 111.325 -178.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.83 -30.68 72.51 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.696 -0.764 . . . . 1.25 111.857 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.93 -34.29 10.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 3.16 110.524 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.7 m -63.69 140.97 58.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 2.02 111.543 -179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.3 4.16 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.728 -0.669 . . . . 2.64 111.01 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.513 ' CG ' HD11 ' A' ' 25' ' ' LEU . 40.3 m-85 -85.52 -7.46 58.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.889 -0.596 . . . . 1.7 109.882 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' LEU . 19.2 ptmt -56.51 139.01 50.81 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.454 -0.794 . . . . 2.85 111.182 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.49 -35.68 4.74 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.882 -0.675 . . . . 2.42 111.616 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -111.64 177.42 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.852 -0.425 . . . . 3.28 109.852 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -119.52 169.98 9.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.772 -0.455 . . . . 1.96 109.772 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.1 tp -55.42 -49.26 72.88 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.9 0.333 . . . . 0.6 111.9 -175.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.6 -33.73 76.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.06 0.393 . . . . 0.63 112.06 -174.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -62.77 -39.2 93.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.421 0.629 . . . . 2.3 109.949 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.44 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 92.2 mt -60.09 -49.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.062 -0.972 . . . . 0.61 110.521 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.04 -35.09 79.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.71 -0.677 . . . . 0.83 110.77 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -58.88 -36.33 74.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.179 0.514 . . . . 1.83 110.204 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.2 m -78.52 -10.22 59.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 1.5 111.054 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.89 50.48 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.055 0.455 . . . . 1.71 110.93 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -80.24 71.75 7.04 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.429 0.633 . . . . 3.09 109.891 177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 90' ' ' PRO . 42.9 mtp180 -67.28 167.4 12.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.194 -0.912 . . . . 5.55 111.581 -175.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.11 85.69 15.74 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 3.58 110.383 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 88' ' ' ARG . 1.1 Cg_endo -83.42 89.8 1.03 Allowed 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.223 2.615 . . . . 3.95 111.814 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -76.63 124.35 27.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.997 -0.547 . . . . 5.08 111.338 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.588 -0.72 . . . . 4.12 109.668 178.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.477 ' C ' ' H ' ' B' ' 16' ' ' SER . 23.7 ptm . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 109.961 -0.385 . . . . 6.44 109.961 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 90.3 mtp 66.42 -3.55 0.83 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.55 0.74 . . . . 4.73 110.933 -172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.477 ' H ' ' C ' ' B' ' 14' ' ' MET . 49.2 m -160.23 163.31 33.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 107.315 -1.365 . . . . 2.01 107.315 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.65 94.15 6.5 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.751 0.31 . . . . 1.09 110.378 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -76.62 158.5 31.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.207 -0.452 . . . . 1.33 110.379 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -52.49 -54.04 37.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.82 0.343 . . . . 2.1 111.123 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.17 -36.79 80.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.948 -0.569 . . . . 1.58 111.705 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.05 -42.72 84.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.027 0.441 . . . . 1.54 111.01 -176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.438 ' O ' HG13 ' B' ' 26' ' ' ILE . 63.1 mt -66.21 -48.15 82.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.804 -0.635 . . . . 0.44 110.244 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.59 -39.31 76.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.85 -0.613 . . . . 0.2 110.688 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.0 76.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.684 . . . . 0.31 111.031 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.518 HD11 ' CG ' ' B' ' 74' ' ' PHE . 88.6 mt -66.54 -39.64 88.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.126 -0.488 . . . . 0.46 111.068 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 22' ' ' ILE . 81.3 mt -62.54 -50.99 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.94 -0.573 . . . . 0.27 111.374 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -67.32 -35.66 74.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.955 -0.298 . . . . 0.23 110.96 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -70.84 -31.41 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.751 0.31 . . . . 1.58 110.288 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.637 ' CE2' HD11 ' B' ' 33' ' ' ILE . 34.7 t80 -66.17 -52.26 49.91 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.016 -0.364 . . . . 1.25 110.016 175.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -59.37 -38.2 79.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.954 0.407 . . . . 1.22 110.642 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -63.49 -42.41 98.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 1.15 110.832 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 8.7 p -75.89 -20.85 57.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.667 0.27 . . . . 0.99 111.148 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.637 HD11 ' CE2' ' B' ' 29' ' ' TYR . 55.0 mt -65.67 -54.73 24.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.079 0.466 . . . . 0.44 110.221 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 25.5 m -71.85 -20.69 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.851 -0.613 . . . . 0.47 110.935 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.41 -49.21 74.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.73 -0.668 . . . . 2.22 111.019 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -105.57 16.43 25.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.943 0.401 . . . . 2.08 111.631 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 55.5 68.46 0.86 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.247 -0.888 . . . . 2.6 111.355 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -106.42 5.58 29.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.633 -0.712 . . . . 2.11 109.883 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.471 HD11 ' HB1' ' A' ' 57' ' ' ALA . 14.9 tt -137.32 159.59 35.6 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.161 -0.927 . . . . 0.52 109.987 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 9.5 m -66.35 152.86 44.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.385 -0.371 . . . . 1.82 110.779 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -51.38 -47.91 62.72 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.746 0.308 . . . . 2.19 111.406 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -57.3 -46.89 82.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.895 -0.593 . . . . 2.29 110.685 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -66.26 -35.25 90.07 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.784 -0.643 . . . . 0.39 112.576 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.5 90.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.31 0.576 . . . . 0.38 110.257 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -67.05 -42.87 84.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.31 -0.859 . . . . 1.84 110.383 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 13.7 m -60.5 -38.67 85.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.907 -0.588 . . . . 0.98 110.835 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.1 -27.69 69.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.395 -0.366 . . . . 0.41 111.541 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.96 -54.33 22.93 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.029 -0.268 . . . . 0.48 111.227 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.98 -35.9 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.922 0.391 . . . . 0.36 110.248 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.655 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -61.85 -43.04 99.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.37 110.641 178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 13.0 ttm -63.71 -40.27 96.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.056 -0.52 . . . . 0.65 111.562 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -62.3 -38.02 87.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.625 -0.509 . . . . 1.99 109.625 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 68.0 m -72.08 -34.8 68.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.561 -0.745 . . . . 1.05 111.196 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.655 HG13 ' O ' ' B' ' 50' ' ' ALA . 56.2 mt -62.63 -48.46 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.44 -0.578 . . . . 0.33 109.44 174.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.672 ' HA ' ' CE1' ' B' ' 60' ' ' PHE . 19.1 m -62.06 -44.67 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.53 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.54 -37.24 83.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.523 -0.762 . . . . 2.66 110.813 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.481 ' HB1' HD11 ' A' ' 39' ' ' ILE . . . -66.81 -51.53 54.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.869 -0.605 . . . . 0.41 112.006 -176.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -85.24 -7.28 59.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.843 0.354 . . . . 1.24 111.534 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.63 42.18 18.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.015 -0.612 . . . . 0.42 112.815 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.672 ' CE1' ' HA ' ' B' ' 55' ' ' SER . 4.4 p90 -139.22 -177.86 5.1 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.23 109.601 178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.66 151.31 38.19 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.867 0.365 . . . . 2.33 110.738 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.457 ' O ' HG12 ' B' ' 65' ' ' VAL . 44.6 ttp180 -62.68 -23.52 67.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.582 -0.735 . . . . 3.67 110.386 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -86.82 -14.83 41.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.156 -0.474 . . . . 3.19 110.733 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.77 -3.79 57.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.66 111.037 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.457 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.1 p -60.12 -33.73 54.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.53 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 15.6 m -65.03 -37.41 87.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 1.63 110.979 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.19 -39.88 71.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.919 -0.658 . . . . 0.74 111.867 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.2 mt -65.18 -52.51 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.889 0.376 . . . . 0.7 110.412 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.55 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 84.3 mt -66.38 -13.97 61.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 1.13 111.43 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.63 -30.95 72.95 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.72 -0.752 . . . . 1.24 111.733 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -97.94 -34.18 10.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.949 0.404 . . . . 3.15 110.472 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 50.8 m -63.73 140.98 58.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.02 111.509 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -76.28 4.22 9.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 2.64 111.06 -178.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CG ' HD11 ' B' ' 25' ' ' LEU . 40.3 m-85 -85.65 -7.33 58.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.83 -0.623 . . . . 1.7 109.875 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 19.2 ptmt -56.4 138.92 50.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.48 -0.782 . . . . 2.85 111.281 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.47 -35.67 4.74 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.951 -0.643 . . . . 2.43 111.654 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -111.66 177.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.91 -0.404 . . . . 3.28 109.91 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -119.48 169.62 9.87 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.819 -0.438 . . . . 1.95 109.819 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 57.1 tp -55.19 -49.23 72.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.782 0.325 . . . . 0.6 111.797 -175.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.66 76.47 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.082 0.401 . . . . 0.63 112.082 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -62.84 -39.26 93.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.384 0.612 . . . . 2.3 109.946 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 92.0 mt -59.99 -49.79 82.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.072 -0.967 . . . . 0.61 110.525 175.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.88 -34.92 78.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.743 -0.662 . . . . 0.83 110.854 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -59.05 -36.22 74.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.255 0.55 . . . . 1.83 110.27 176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -78.99 -9.52 59.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.455 -0.793 . . . . 1.5 110.915 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.34 50.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 1.7 110.978 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -80.12 72.32 6.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.435 0.635 . . . . 3.09 109.795 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.472 ' O ' ' HD3' ' B' ' 90' ' ' PRO . 42.7 mtp180 -67.83 167.1 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.086 -0.961 . . . . 5.55 111.536 -175.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 34.7 t -115.71 85.89 14.88 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.405 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' B' ' 88' ' ' ARG . 1.0 OUTLIER -83.42 90.06 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.25 2.633 . . . . 3.95 111.742 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.92 124.27 27.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 5.08 111.256 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 44.4 m . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.586 -0.734 . . . . 4.13 109.686 178.026 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.337 0.113 . . . . 6.45 110.729 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 69.0 mtm 68.73 -62.01 0.4 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.711 0.804 . . . . 4.73 111.104 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.636 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 19.6 m -76.87 102.14 6.22 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 109.132 -0.692 . . . . 2.01 109.132 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.29 98.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.239 0.962 . . . . 1.09 112.024 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.84 166.34 16.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.066 -0.515 . . . . 1.32 109.671 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -51.07 -50.19 59.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.726 0.269 . . . . 2.1 111.726 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.48 -36.35 82.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.57 111.609 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.84 -41.09 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 1.54 110.466 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 63.8 mt -65.3 -50.9 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.565 -0.743 . . . . 0.44 110.758 179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -32.58 70.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.838 -0.619 . . . . 0.2 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.85 86.88 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.777 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 mt -69.8 -35.24 74.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.515 -0.311 . . . . 0.46 110.986 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.8 mt -60.56 -53.74 44.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.186 -0.461 . . . . 0.27 111.149 179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.83 -31.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.24 110.643 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -65.99 -41.3 91.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 1.59 110.346 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 33' ' ' ILE . 48.2 t80 -60.37 -48.31 82.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.529 . . . . 1.25 110.463 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 22.1 m-85 -61.35 -38.76 88.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.483 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 49.6 m -63.84 -35.81 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 1.15 110.62 177.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 39.0 t -63.12 -41.81 99.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 0.99 110.717 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' CG2' ' HB ' ' A' ' 39' ' ' ILE . 37.8 mt -63.85 -44.18 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.317 -0.401 . . . . 0.43 111.002 -177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.92 -21.13 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.47 111.009 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 31' ' ' SER . 11.6 tp10 -69.47 -44.94 70.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.316 -0.402 . . . . 2.22 110.317 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' SER . 60.3 pttt -86.94 1.94 50.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.399 0.619 . . . . 2.08 110.725 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 tttm 54.49 52.35 12.51 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.66 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.54 -35.31 12.32 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.301 -0.629 . . . . 2.12 109.301 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.426 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.1 tt -83.8 151.81 3.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.636 -0.711 . . . . 0.51 110.399 -177.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -76.45 163.26 27.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.116 -0.493 . . . . 1.82 111.397 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -51.08 -50.71 58.21 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.606 0.595 . . . . 2.19 112.606 -173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.88 -41.32 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 2.3 110.767 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.74 95.57 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.854 -0.689 . . . . 0.39 111.96 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.1 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.747 0.308 . . . . 0.38 110.868 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.61 -39.04 93.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 1.84 110.713 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -61.64 -40.38 94.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.956 -0.565 . . . . 0.98 110.465 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.8 -31.46 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -63.68 -58.5 6.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.292 . . . . 0.48 110.724 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.43 -35.38 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.924 0.392 . . . . 0.36 110.568 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -62.83 -40.26 96.87 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.37 110.584 177.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 30' ' ' PHE . 8.0 ttm -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.03 -0.532 . . . . 0.65 111.545 -175.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.86 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.109 0.481 . . . . 1.99 110.176 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 83.2 m -70.84 -45.26 64.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.636 -0.711 . . . . 1.05 110.858 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 50' ' ' ALA . 65.5 mt -57.02 -53.51 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.207 0.527 . . . . 0.34 110.278 177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.2 m -59.44 -48.26 82.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.399 -0.819 . . . . 0.8 111.191 -176.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -69.79 -29.26 66.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.153 -0.476 . . . . 2.66 111.069 -176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.99 85.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.42 111.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 44.5 m-85 -87.52 -28.77 21.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.426 . . . . 1.24 111.256 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.67 39.52 2.19 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.541 -0.837 . . . . 0.43 113.024 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' SER . 46.5 p90 -140.41 165.95 26.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.741 -0.466 . . . . 1.22 109.741 176.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.73 151.09 21.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.653 -0.249 . . . . 2.33 110.706 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.595 ' O ' HG12 ' A' ' 65' ' ' VAL . 22.6 mtm180 -57.35 -44.79 84.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.391 0.615 . . . . 3.67 109.787 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -75.8 4.38 8.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.478 -0.783 . . . . 3.2 111.259 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -112.33 -1.58 15.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.602 -0.272 . . . . 0.67 111.605 -178.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.3 p -65.0 -33.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.824 0.345 . . . . 0.54 110.97 -178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.58 -40.21 93.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.232 -0.44 . . . . 1.63 110.824 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.88 -38.13 84.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.952 -0.642 . . . . 0.76 112.0 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 64' ' ' ALA . 64.9 mt -61.61 -52.33 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.809 0.337 . . . . 0.71 110.458 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.0 -34.16 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.914 -0.585 . . . . 1.14 111.272 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' A' ' 75' ' ' LYS . . . -66.32 -34.55 88.29 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.951 -0.642 . . . . 1.25 112.32 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.09 -46.5 12.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 3.16 110.431 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.6 t -63.63 167.23 5.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.634 . . . . 2.02 110.912 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 7.5 mm-40 -86.38 12.49 10.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.944 -0.571 . . . . 2.64 110.981 -175.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -97.04 4.38 51.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.292 0.568 . . . . 1.7 110.456 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 70' ' ' GLY . 16.4 pttm -61.76 122.16 14.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.535 -0.757 . . . . 2.85 110.333 173.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.47 -0.78 75.01 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.865 -0.684 . . . . 2.42 111.97 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -118.09 151.75 36.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.788 0.328 . . . . 3.28 110.372 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -120.88 146.7 46.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.401 -0.363 . . . . 1.96 110.256 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.2 -55.52 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.6 111.478 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.3 88.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.63 111.687 -176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -61.46 -41.34 97.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 2.3 110.412 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' B' ' 86' ' ' ALA . 32.6 mt -58.55 -50.75 77.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.52 -0.763 . . . . 0.61 111.151 176.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.98 -38.78 89.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.22 -0.445 . . . . 0.83 111.011 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.693 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 10.1 t30 -65.68 -40.09 92.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.234 -0.439 . . . . 1.83 110.804 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -70.51 -38.31 74.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.549 . . . . 1.5 110.775 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . -93.41 33.64 1.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.304 -0.407 . . . . 1.71 111.567 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -77.21 134.86 38.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.361 -0.381 . . . . 3.09 110.219 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' HD2' ' HG2' ' B' ' 77' ' ' GLN . 6.1 ptm180 -92.19 164.84 13.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 5.55 110.816 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.7 t -116.71 94.57 44.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 3.58 109.737 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.28 126.32 13.48 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.171 2.58 . . . . 3.95 112.397 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -104.08 23.04 13.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 5.08 110.373 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.348 -0.842 . . . . 4.12 109.533 -179.867 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 110.701 -0.111 . . . . 6.44 110.701 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 69.7 mtm 68.49 -61.59 0.4 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.829 0.851 . . . . 4.73 111.043 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.693 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 19.4 m -77.2 102.15 6.5 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.08 -0.711 . . . . 2.01 109.08 175.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.37 98.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.204 0.94 . . . . 1.09 112.054 -176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -84.91 166.23 16.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.996 -0.547 . . . . 1.33 109.65 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -50.94 -50.26 58.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.692 0.256 . . . . 2.1 111.692 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.57 -36.17 81.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 1.58 111.612 -177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.99 -41.03 74.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.261 0.553 . . . . 1.54 110.558 -179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 26' ' ' ILE . 64.1 mt -65.31 -50.86 70.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.446 -0.797 . . . . 0.44 110.713 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.6 -32.64 70.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 0.2 110.886 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.92 86.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.785 -0.643 . . . . 0.31 110.687 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 mt -69.68 -35.17 74.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.688 0.28 . . . . 0.46 111.023 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 22' ' ' ILE . 73.5 mt -60.62 -53.76 44.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.27 111.065 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -67.8 -31.74 53.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.803 0.335 . . . . 0.23 110.609 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.05 -41.07 91.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.252 -0.431 . . . . 1.58 110.363 177.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.417 ' O ' HG13 ' B' ' 33' ' ' ILE . 48.5 t80 -60.58 -48.09 83.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 1.25 110.615 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.42 -38.76 88.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.464 . . . . 1.22 110.486 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 50.3 m -63.86 -35.72 81.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 1.15 110.553 177.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 39.7 t -63.12 -42.03 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.99 110.734 178.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.423 ' CG2' ' HB ' ' B' ' 39' ' ' ILE . 37.5 mt -63.69 -44.13 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.44 111.076 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -79.08 -20.95 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.47 111.05 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' B' ' 31' ' ' SER . 11.5 tp10 -69.51 -44.78 70.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.089 0.471 . . . . 2.22 110.352 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 32' ' ' SER . 60.2 pttt -87.14 1.88 51.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.264 0.554 . . . . 2.08 110.693 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.2 tttm 54.62 52.33 12.42 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.479 -1.237 . . . . 2.6 111.583 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -94.48 -35.22 12.39 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.352 -0.61 . . . . 2.11 109.352 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.2 tt -83.85 151.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.597 -0.729 . . . . 0.52 110.221 -177.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 19.5 m -76.43 163.18 27.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.253 -0.431 . . . . 1.82 111.335 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.11 -50.82 58.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.48 0.548 . . . . 2.19 112.48 -173.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -60.63 -41.33 94.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 2.29 110.77 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.68 95.56 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.78 -0.724 . . . . 0.39 112.051 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.19 91.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.685 0.278 . . . . 0.38 110.75 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.54 -39.18 93.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.43 . . . . 1.84 110.687 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -61.56 -40.36 94.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.613 . . . . 0.98 110.452 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.83 -31.3 71.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.41 111.237 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.64 -58.53 6.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.521 -0.309 . . . . 0.48 110.838 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.56 -35.37 69.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 120.93 0.395 . . . . 0.36 110.565 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.639 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -62.76 -40.21 96.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.37 110.63 177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.422 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 8.0 ttm -64.6 -42.43 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.121 -0.49 . . . . 0.65 111.587 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.88 -35.96 79.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.176 0.512 . . . . 1.99 110.23 176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 84.7 m -70.88 -45.44 64.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.703 -0.68 . . . . 1.05 110.882 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.639 HG13 ' O ' ' B' ' 50' ' ' ALA . 65.3 mt -57.01 -53.62 40.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.186 0.517 . . . . 0.33 110.218 177.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.2 m -59.32 -48.24 82.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.416 -0.811 . . . . 0.8 111.194 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.03 -28.99 65.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 2.66 111.089 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.82 -38.68 83.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.92 0.391 . . . . 0.41 111.264 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 44.4 m-85 -87.49 -29.26 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 1.24 111.299 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.13 39.13 2.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.599 -0.81 . . . . 0.42 113.018 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' B' ' 55' ' ' SER . 46.6 p90 -140.01 166.1 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.705 -0.48 . . . . 1.23 109.705 176.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.79 151.24 21.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.674 -0.239 . . . . 2.33 110.828 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 65' ' ' VAL . 22.7 mtm180 -57.39 -44.75 84.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.345 0.593 . . . . 3.67 109.871 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -75.82 4.53 7.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.484 -0.78 . . . . 3.19 111.207 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -112.39 -1.63 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.556 -0.293 . . . . 0.66 111.49 -178.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.591 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.3 p -64.86 -33.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.874 0.368 . . . . 0.53 111.02 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -61.64 -40.01 93.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.211 -0.45 . . . . 1.63 110.925 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.17 -37.9 82.15 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.977 -0.63 . . . . 0.74 112.031 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 64' ' ' ALA . 65.0 mt -61.73 -52.38 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.7 110.472 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' B' ' 75' ' ' LYS . 95.0 mt -63.85 -34.04 77.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.908 -0.587 . . . . 1.13 111.352 -178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' B' ' 75' ' ' LYS . . . -66.58 -34.31 87.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.946 -0.645 . . . . 1.24 112.329 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -83.23 -46.54 12.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.879 0.371 . . . . 3.15 110.421 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -63.64 167.27 5.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 2.02 110.853 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 7.5 mm-40 -86.25 12.33 10.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.915 -0.584 . . . . 2.64 111.002 -175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -96.96 4.29 51.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.173 0.511 . . . . 1.7 110.437 178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' B' ' 69' ' ' LEU . 16.4 pttm -61.72 122.36 15.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.455 -0.793 . . . . 2.85 110.317 173.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.39 -0.86 75.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.901 -0.666 . . . . 2.43 111.907 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.41 ' HG2' ' HD2' ' A' ' 88' ' ' ARG . 83.7 mm-40 -118.04 151.7 36.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.742 0.306 . . . . 3.28 110.438 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -120.97 146.65 46.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.382 . . . . 1.95 110.204 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -54.01 -55.69 24.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.794 0.33 . . . . 0.6 111.461 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.07 87.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.956 -0.566 . . . . 0.63 111.848 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.68 -41.32 97.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.126 -0.488 . . . . 2.3 110.415 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 86' ' ' ALA . 32.5 mt -58.36 -50.89 77.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.518 -0.765 . . . . 0.61 111.127 176.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.92 -38.61 89.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.83 111.033 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.636 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 9.8 t30 -65.92 -39.87 90.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.169 -0.469 . . . . 1.83 110.727 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -70.61 -38.39 73.96 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.008 -0.542 . . . . 1.5 110.697 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . -93.44 33.58 1.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.559 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 7.6 p -77.29 134.66 38.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.38 -0.373 . . . . 3.09 110.293 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 73' ' ' GLU . 6.1 ptm180 -92.16 164.7 13.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.482 -0.326 . . . . 5.55 110.751 -177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 43.3 t -116.57 94.68 44.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.041 -0.527 . . . . 3.58 109.818 175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.51 126.38 13.41 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.006 2.47 . . . . 3.95 112.366 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -103.8 22.97 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.442 0.639 . . . . 5.08 110.424 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.417 -0.81 . . . . 4.13 109.499 -179.7 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.658 ' N ' ' HG ' ' A' ' 18' ' ' SER . 46.7 ttm . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.295 -0.261 . . . . 6.45 110.295 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' A' ' 14' ' ' MET . 63.2 mtt 74.86 151.85 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.533 0.733 . . . . 4.73 111.9 177.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m 62.81 24.12 14.37 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.407 -0.815 . . . . 2.01 111.504 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' HB3' ' ND2' ' B' ' 84' ' ' ASN . . . 52.56 74.93 0.25 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.484 -0.78 . . . . 1.09 110.536 -175.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' A' ' 14' ' ' MET . 7.3 m -72.77 162.64 29.23 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.681 -0.69 . . . . 1.32 110.342 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -53.6 -46.62 70.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.943 0.401 . . . . 2.1 110.045 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 8.7 pt-20 -54.52 -45.1 73.27 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.401 -0.818 . . . . 1.57 111.731 177.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 55.5 mt-10 -70.09 -44.46 69.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.54 111.049 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.3 mt -64.25 -49.8 79.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.979 -0.555 . . . . 0.44 110.448 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.23 -39.29 86.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.998 -0.546 . . . . 0.2 110.888 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -45.48 88.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.998 -0.546 . . . . 0.31 110.905 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.85 -39.06 87.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.258 -0.428 . . . . 0.46 110.691 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.5 mt -63.03 -51.38 72.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.893 -0.594 . . . . 0.27 111.294 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 32.1 m -67.93 -35.89 73.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.24 111.08 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -69.05 -32.45 71.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.969 0.414 . . . . 1.59 109.988 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.485 ' O ' HG13 ' A' ' 33' ' ' ILE . 50.2 t80 -64.47 -52.27 58.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 1.25 110.388 174.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -60.31 -40.93 92.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.923 0.392 . . . . 1.22 110.905 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.2 t -64.5 -34.5 78.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.127 -0.488 . . . . 1.15 110.5 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.612 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 8.6 t -72.7 -24.76 61.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.599 -0.273 . . . . 0.99 110.414 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 29' ' ' TYR . 59.4 mt -64.52 -52.58 53.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.716 0.294 . . . . 0.43 110.564 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.47 -29.68 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.105 0.478 . . . . 0.47 110.088 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 32' ' ' SER . 31.7 tt0 -54.53 -54.92 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.189 -0.914 . . . . 2.22 111.224 176.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -95.86 18.28 13.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 2.08 111.584 -176.499 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 tptt 54.46 51.57 13.9 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.201 -0.908 . . . . 2.6 111.525 174.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -99.79 -2.33 35.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.219 0.533 . . . . 2.12 110.542 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 13.3 tt -133.17 151.62 34.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.497 -0.774 . . . . 0.51 110.037 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.58 176.34 7.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.514 -0.312 . . . . 1.82 110.781 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -52.66 -50.06 63.97 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.631 0.582 . . . . 2.19 112.433 -172.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -56.72 -48.48 77.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.88 0.371 . . . . 2.3 111.138 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' B' ' 57' ' ' ALA . . . -69.73 -35.94 74.43 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.725 -0.75 . . . . 0.39 112.392 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.39 -51.36 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.619 0.247 . . . . 0.38 111.151 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -66.22 -31.13 71.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.86 0.362 . . . . 1.84 110.726 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -65.91 -38.74 89.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.207 0.527 . . . . 0.98 109.881 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.3 mt -71.21 -23.13 61.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.41 111.183 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -70.17 -49.76 47.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.736 -0.211 . . . . 0.48 111.009 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.96 -39.1 84.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 N-CA-C 110.084 -0.339 . . . . 0.36 110.084 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.35 -37.29 86.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.37 110.674 178.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.462 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.3 tpp -53.2 -50.34 64.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.871 -0.604 . . . . 0.65 111.426 -178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -64.88 -38.83 92.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.864 -0.607 . . . . 1.99 110.367 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 79.0 m -68.42 -41.29 80.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.168 -0.469 . . . . 1.05 111.629 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 50' ' ' ALA . 59.8 mt -60.28 -47.44 92.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 121.276 0.56 . . . . 0.34 109.73 177.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.449 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 16.8 m -62.42 -45.74 91.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.476 -0.784 . . . . 0.8 110.519 178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.95 -43.44 98.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 2.66 111.311 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' B' ' 43' ' ' GLY . . . -59.46 -44.88 92.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.906 -0.588 . . . . 0.42 111.896 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -83.98 -27.26 28.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.024 0.44 . . . . 1.24 111.378 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.04 35.88 4.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.56 -0.828 . . . . 0.43 113.115 175.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' O ' ' HB3' ' A' ' 55' ' ' SER . 47.5 p90 -131.19 162.61 29.58 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.756 -0.461 . . . . 1.22 109.756 177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.7 23.92 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.749 -0.463 . . . . 2.33 109.749 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 65' ' ' VAL . 41.1 ttp180 -62.2 -26.98 68.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.895 -0.593 . . . . 3.67 110.808 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.49 -4.82 57.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.963 0.411 . . . . 3.2 110.876 176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.19 -8.0 46.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 0.67 111.098 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 62' ' ' ARG . 7.0 p -61.24 -33.73 57.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.502 -0.317 . . . . 0.54 110.442 178.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.4 t -63.76 -34.92 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 1.63 110.168 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.86 -42.08 46.93 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.824 -0.703 . . . . 0.76 111.669 177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.9 mt -61.82 -48.02 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.71 110.561 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.3 mt -76.67 4.37 9.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.344 -0.389 . . . . 1.14 111.32 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.06 14.71 8.94 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.33 -0.708 . . . . 1.25 111.33 175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.27 -49.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 3.16 110.249 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 21' ' ' GLU . 16.2 m -77.9 171.97 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 2.02 110.168 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.42 -23.62 60.16 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.711 1.004 . . . . 2.64 113.711 -163.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -88.59 59.35 5.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 1.7 112.066 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -97.87 135.8 39.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.709 -0.678 . . . . 2.85 109.663 174.1 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.47 140.36 10.45 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.763 -0.732 . . . . 2.42 112.104 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.462 ' HG3' ' NH1' ' B' ' 88' ' ' ARG . 32.4 mm-40 66.35 -179.48 0.2 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.321 0.581 . . . . 3.28 111.628 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -109.99 169.67 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.293 -0.632 . . . . 1.96 109.293 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 57.6 tp -56.27 -43.93 79.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.95 0.405 . . . . 0.6 110.52 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.9 82.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.994 -0.548 . . . . 0.63 111.859 -177.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -57.24 -42.24 81.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.289 0.566 . . . . 2.3 109.966 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 69.6 mt -58.29 -49.19 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.12 -0.945 . . . . 0.61 110.553 176.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.48 -29.99 70.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.894 -0.594 . . . . 0.83 111.358 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' B' ' 17' ' ' ALA . 0.9 OUTLIER -60.0 -43.27 95.3 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.971 0.415 . . . . 1.83 110.595 176.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.5 p -86.26 -24.73 25.88 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.812 -0.631 . . . . 1.5 111.625 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.05 55.83 0.64 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.218 0.532 . . . . 1.71 111.416 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.1 m -85.89 93.39 8.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.119 -0.491 . . . . 3.09 109.963 177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.474 ' NH1' ' HG3' ' B' ' 77' ' ' GLN . 69.8 mtt180 -70.98 132.23 44.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 5.55 111.925 -176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -123.47 87.98 51.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 3.58 109.686 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.39 105.07 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.948 2.432 . . . . 3.95 112.396 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -81.52 129.48 34.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.077 -0.51 . . . . 5.08 110.729 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.757 -0.64 . . . . 4.12 109.758 -179.554 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.643 ' N ' ' HG ' ' B' ' 18' ' ' SER . 46.8 ttm . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.358 -0.238 . . . . 6.44 110.358 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' B' ' 14' ' ' MET . 63.3 mtt 74.75 151.73 0.12 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.877 0.736 . . . . 4.73 112.033 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.1 m 62.73 24.41 14.53 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.283 -0.872 . . . . 2.01 111.457 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . . . 52.42 74.62 0.27 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.414 -0.812 . . . . 1.09 110.658 -175.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.643 ' HG ' ' N ' ' B' ' 14' ' ' MET . 8.2 m -72.42 162.74 29.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.381 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -53.8 -46.63 71.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.45 . . . . 2.1 110.022 -179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 8.8 pt-20 -54.43 -45.25 72.98 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.228 -0.896 . . . . 1.58 111.678 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.0 mt-10 -69.87 -44.6 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.54 111.107 -174.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.514 ' O ' HG13 ' B' ' 26' ' ' ILE . 59.3 mt -64.25 -49.83 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.942 -0.572 . . . . 0.44 110.428 -179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.18 85.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 0.2 110.9 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.53 -45.51 88.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.31 110.893 178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.91 -38.99 87.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.46 110.693 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.514 HG13 ' O ' ' B' ' 22' ' ' ILE . 77.3 mt -63.11 -51.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.27 111.361 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 31.6 m -68.04 -35.87 73.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.015 -0.274 . . . . 0.23 110.979 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -68.98 -32.56 72.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 1.58 109.987 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.488 ' O ' HG13 ' B' ' 33' ' ' ILE . 49.8 t80 -64.47 -52.22 59.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.938 -0.574 . . . . 1.25 110.422 174.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -60.21 -41.11 92.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 1.22 110.816 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -64.53 -34.4 78.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.061 -0.518 . . . . 1.15 110.474 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 8.7 t -72.87 -24.71 60.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.61 -0.268 . . . . 0.99 110.447 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.488 HG13 ' O ' ' B' ' 29' ' ' TYR . 59.0 mt -64.43 -52.53 54.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.749 0.309 . . . . 0.44 110.566 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 34.3 m -69.54 -29.71 42.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.247 0.546 . . . . 0.47 110.111 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' B' ' 32' ' ' SER . 31.4 tt0 -54.52 -54.8 36.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.164 -0.925 . . . . 2.22 111.214 176.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' ' 32' ' ' SER . 0.1 OUTLIER -95.91 18.26 13.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 2.08 111.603 -176.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 40.0 tptt 54.41 51.55 14.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.175 -0.921 . . . . 2.6 111.498 174.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' B' ' 36' ' ' LYS . 16.3 mm-40 -99.89 -2.09 35.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.25 0.547 . . . . 2.11 110.51 -177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 13.4 tt -133.26 151.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.543 -0.753 . . . . 0.52 109.881 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 12.2 t -87.77 176.16 7.52 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.353 -0.385 . . . . 1.82 110.767 -177.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -52.48 -50.08 63.41 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 112.581 0.586 . . . . 2.19 112.581 -172.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.77 -48.5 77.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.904 0.383 . . . . 2.29 111.057 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 57' ' ' ALA . . . -69.71 -36.02 74.66 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.612 -0.804 . . . . 0.39 112.403 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.09 70.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.533 0.206 . . . . 0.38 111.115 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -66.31 -31.45 72.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.937 0.398 . . . . 1.84 110.661 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.9 t -65.57 -38.82 90.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.113 -0.494 . . . . 0.98 110.007 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.09 -23.17 62.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 0.41 111.177 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.11 -49.89 46.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.728 -0.215 . . . . 0.48 111.015 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -64.82 -38.92 83.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.81 -0.356 . . . . 0.36 110.167 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.583 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.63 -37.23 86.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.508 . . . . 0.37 110.69 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.467 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -53.22 -50.22 65.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.987 -0.552 . . . . 0.65 111.477 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.79 -38.91 92.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 1.99 110.542 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 81.6 m -68.38 -41.14 80.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.06 -0.518 . . . . 1.05 111.675 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 50' ' ' ALA . 59.4 mt -60.32 -47.47 92.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.226 0.536 . . . . 0.33 109.784 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 16.6 m -62.34 -45.99 90.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.399 -0.819 . . . . 0.8 110.521 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.77 -43.57 97.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.511 -0.768 . . . . 2.66 111.262 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.414 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . . . -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.922 -0.581 . . . . 0.41 111.773 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -83.95 -27.1 28.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.871 0.367 . . . . 1.24 111.402 -177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.73 36.33 4.31 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.72 -0.752 . . . . 0.42 113.083 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' B' ' 55' ' ' SER . 47.1 p90 -131.54 162.57 29.97 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.895 -0.409 . . . . 1.23 109.895 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -89.36 147.6 23.98 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.145 -0.479 . . . . 2.33 109.821 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.459 ' O ' HG12 ' B' ' 65' ' ' VAL . 41.0 ttp180 -62.09 -27.0 68.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 3.67 110.866 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.47 -4.87 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.87 0.366 . . . . 3.19 110.868 176.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.14 -7.81 47.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.66 111.025 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 62' ' ' ARG . 7.0 p -61.37 -33.79 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.53 110.461 178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 31.0 t -63.79 -34.69 78.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.63 110.171 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.84 -42.11 46.9 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.87 -0.681 . . . . 0.74 111.745 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 69.0 mt -61.86 -47.86 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.7 110.514 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.97 4.65 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 1.13 111.246 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.51 15.23 8.62 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.289 -0.724 . . . . 1.24 111.289 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -140.5 -49.53 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.953 0.406 . . . . 3.15 110.271 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' B' ' 21' ' ' GLU . 16.2 m -77.85 172.04 14.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.615 . . . . 2.02 110.094 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.52 -23.58 60.03 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.782 1.03 . . . . 2.64 113.782 -163.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -88.59 59.34 5.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.272 0.558 . . . . 1.7 111.987 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -97.98 135.73 39.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.734 -0.666 . . . . 2.85 109.695 173.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.76 140.17 10.28 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.807 -0.711 . . . . 2.43 112.029 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.474 ' HG3' ' NH1' ' A' ' 88' ' ' ARG . 31.9 mm-40 66.39 -179.49 0.2 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.359 0.599 . . . . 3.28 111.687 176.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -110.01 169.65 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.602 . . . . 1.95 109.436 175.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.2 -43.91 78.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.439 . . . . 0.6 110.644 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.03 82.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.63 111.778 -177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -57.15 -42.19 80.58 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.372 0.606 . . . . 2.3 109.969 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.24 -49.29 82.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.214 -0.903 . . . . 0.61 110.568 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.6 -29.95 70.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.901 -0.59 . . . . 0.83 111.26 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.536 ' ND2' ' HB3' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -59.95 -43.34 95.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.048 0.451 . . . . 1.83 110.605 176.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 10.4 p -86.36 -24.47 25.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 1.5 111.572 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.21 55.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.181 0.515 . . . . 1.7 111.319 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.8 m -85.86 93.3 8.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.214 -0.448 . . . . 3.09 110.035 177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.462 ' NH1' ' HG3' ' A' ' 77' ' ' GLN . 69.9 mtt180 -71.03 132.22 44.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.02 -0.536 . . . . 5.55 111.873 -176.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 47.7 t -123.3 87.79 51.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.578 -0.737 . . . . 3.58 109.755 176.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.26 105.31 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.869 2.379 . . . . 3.95 112.321 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.66 129.14 34.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.069 -0.514 . . . . 5.08 110.703 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.715 -0.659 . . . . 4.13 109.863 -179.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.642 0.258 . . . . 6.45 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 61.4 mtt -150.0 -62.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 4.73 109.871 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 p -157.0 166.0 34.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.512 -0.767 . . . . 2.01 109.153 178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB2' ' HB2' ' B' ' 84' ' ' ASN . . . -138.42 67.05 1.42 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.127 0.489 . . . . 1.09 110.476 177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.41 151.57 30.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.896 -0.593 . . . . 1.32 109.449 178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 18.9 pttm -53.01 -42.9 66.09 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 117.945 0.339 . . . . 2.1 111.74 -175.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.52 -39.22 83.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.796 0.331 . . . . 1.57 111.674 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 41.1 mt-10 -70.46 -38.1 74.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.458 0.647 . . . . 1.54 110.36 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' O ' HG13 ' A' ' 26' ' ' ILE . 55.6 mt -68.52 -47.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.201 -0.908 . . . . 0.44 110.571 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.48 -30.65 68.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.2 110.701 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -56.12 -51.07 69.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.878 -0.601 . . . . 0.31 110.826 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -68.56 -35.52 77.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.613 0.244 . . . . 0.46 110.992 177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.4 mt -60.15 -54.07 39.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.251 -0.431 . . . . 0.27 110.973 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.38 -30.12 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.24 110.907 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.76 -44.35 93.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.59 110.064 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CE2' HD11 ' A' ' 33' ' ' ILE . 52.5 t80 -60.98 -49.04 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.25 110.957 179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CB ' ' HE1' ' A' ' 51' ' ' MET . 21.2 m-85 -57.74 -43.91 85.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.963 0.411 . . . . 1.22 110.606 178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.5 m -66.64 -28.72 68.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.938 -0.573 . . . . 1.15 110.715 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 t -73.6 -32.87 64.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.881 0.372 . . . . 0.99 110.462 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.607 HD11 ' CE2' ' A' ' 29' ' ' TYR . 53.2 mt -65.33 -43.46 94.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.768 0.318 . . . . 0.43 110.424 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.75 -19.76 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.47 110.767 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.64 -45.49 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.22 110.066 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -93.01 -9.54 39.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.396 0.617 . . . . 2.08 110.649 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.44 58.71 3.66 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.573 -1.194 . . . . 2.6 111.16 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -89.91 -30.02 18.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.837 -0.801 . . . . 2.12 108.837 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 tt -87.27 155.84 3.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.157 -0.929 . . . . 0.51 110.637 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.26 146.76 50.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 1.82 110.176 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.76 -27.67 69.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.386 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.34 -44.04 76.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.029 0.442 . . . . 2.3 110.264 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -69.77 -33.77 71.43 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.39 112.02 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.28 -37.66 83.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.967 0.413 . . . . 0.38 110.293 176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -65.93 -42.86 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.673 -0.694 . . . . 1.84 111.305 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 -29.45 67.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.908 0.385 . . . . 0.98 110.639 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 72.5 mt -70.29 -27.54 64.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.481 -0.327 . . . . 0.41 110.492 174.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -63.31 -54.9 29.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.618 -0.264 . . . . 0.48 110.828 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.7 -37.12 78.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.981 0.419 . . . . 0.36 110.252 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -64.69 -34.42 78.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.37 110.987 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.555 ' HE1' ' CB ' ' A' ' 30' ' ' PHE . 12.4 tpp -58.21 -52.29 66.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.044 -0.525 . . . . 0.65 111.082 -176.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.76 -31.64 71.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.946 -0.57 . . . . 1.99 110.85 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 81.8 m -62.89 -48.22 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 1.05 110.568 175.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.6 mt -59.61 -45.3 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.223 0.535 . . . . 0.34 110.077 177.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 22.0 m -61.31 -48.55 80.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.412 -0.813 . . . . 0.8 111.219 -178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -65.41 -40.9 93.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.86 0.362 . . . . 2.66 110.841 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.38 -47.74 84.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.123 -0.489 . . . . 0.42 111.588 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 19' ' ' LYS . 26.5 m-85 -85.35 -17.65 36.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.222 -0.445 . . . . 1.24 111.375 -177.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.04 43.98 6.15 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.073 -0.584 . . . . 0.43 113.217 174.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.1 p90 -140.25 159.53 41.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 1.22 110.223 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -92.66 148.22 22.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.017 -0.538 . . . . 2.33 110.616 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -64.45 -18.5 64.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.682 -0.69 . . . . 3.67 111.488 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -96.66 -1.94 45.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.284 -0.417 . . . . 3.2 110.75 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.47 -0.19 30.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.79 -35.63 65.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.945 -0.57 . . . . 0.54 110.86 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 p -64.63 -36.05 82.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.127 -0.488 . . . . 1.63 110.751 178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.12 -38.09 82.91 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.934 -0.651 . . . . 0.76 111.856 177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.21 -41.19 88.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.019 0.438 . . . . 0.71 110.277 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.4 mt -72.84 -1.27 16.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 1.14 110.997 178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.78 -2.85 46.32 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.96 -0.638 . . . . 1.25 111.736 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 tppp? -81.25 -45.17 16.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.22 0.533 . . . . 3.16 110.346 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.3 m -125.43 -154.87 0.64 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.607 -0.724 . . . . 2.02 110.045 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.99 -112.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.123 0.264 . . . . 2.64 110.685 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 52.13 41.64 30.16 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.147 0.499 . . . . 1.7 110.934 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.424 ' HB2' ' OE1' ' B' ' 91' ' ' GLU . 18.2 ptpt -138.97 164.51 29.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.827 -0.624 . . . . 2.85 110.663 -174.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.09 -53.57 4.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.195 -0.526 . . . . 2.42 112.117 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -101.98 142.42 33.3 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.868 -0.419 . . . . 3.28 109.868 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -79.24 173.87 12.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.257 -0.646 . . . . 1.96 109.257 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 83' ' ' LEU . 45.2 tp -54.46 -47.94 72.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.844 0.354 . . . . 0.6 110.641 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.96 95.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.325 -0.398 . . . . 0.63 111.678 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -58.9 -42.02 88.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.348 0.594 . . . . 2.3 109.935 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.422 HG23 ' HB2' ' B' ' 86' ' ' ALA . 50.9 mt -63.45 -49.41 82.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.129 -0.942 . . . . 0.61 111.437 177.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 79' ' ' LEU . 8.4 mp -62.99 -40.9 99.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.83 112.123 -176.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' HB2' ' HB2' ' B' ' 17' ' ' ALA . 56.0 t30 -70.55 -44.34 67.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.806 0.336 . . . . 1.83 111.48 -176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.6 p -71.37 -6.46 40.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.506 0.558 . . . . 1.5 112.506 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HB2' HG23 ' B' ' 82' ' ' ILE . . . -72.74 62.08 0.56 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.246 0.832 . . . . 1.71 113.246 -173.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.5 t 59.0 -167.32 0.16 Allowed 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.517 0.675 . . . . 3.09 112.104 170.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 88' ' ' ARG . 31.0 mtt180 -126.21 135.45 51.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.268 -0.878 . . . . 5.55 109.613 172.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG11 ' HA3' ' B' ' 76' ' ' GLY . 44.7 t -130.2 90.49 41.74 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.406 -0.361 . . . . 3.58 110.511 -176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.3 87.75 1.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.753 2.302 . . . . 3.95 112.008 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' B' ' 75' ' ' LYS . 43.9 mt-10 -68.52 106.75 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.366 . . . . 5.08 110.271 177.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.511 -0.757 . . . . 4.12 110.451 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.378 -0.231 . . . . 6.44 110.378 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 61.2 mtt -149.97 -62.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 4.73 109.979 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.9 p -157.17 165.99 34.45 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.464 -0.789 . . . . 2.01 109.023 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 84' ' ' ASN . . . -138.42 67.33 1.41 Allowed 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.217 0.532 . . . . 1.09 110.377 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 m -79.63 151.53 30.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.883 -0.599 . . . . 1.33 109.53 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 58' ' ' PHE . 18.9 pttm -53.0 -42.78 65.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.875 0.307 . . . . 2.1 111.788 -175.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -59.55 -39.3 83.55 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 120.693 0.282 . . . . 1.58 111.667 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 41.2 mt-10 -70.35 -38.36 74.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 1.54 110.432 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.468 ' O ' HG13 ' B' ' 26' ' ' ILE . 55.4 mt -68.19 -47.5 78.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.021 -0.991 . . . . 0.44 110.542 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -30.75 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.2 110.675 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' B' ' 21' ' ' GLU . . . -56.11 -51.18 68.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.824 -0.625 . . . . 0.31 110.825 177.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 mt -68.35 -35.58 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.978 -0.289 . . . . 0.46 111.064 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.468 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.4 mt -60.08 -54.06 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.372 -0.376 . . . . 0.27 111.056 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.23 -30.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.707 0.289 . . . . 0.23 110.903 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.74 -44.29 93.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.289 -0.414 . . . . 1.58 110.057 176.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.613 ' CE2' HD11 ' B' ' 33' ' ' ILE . 52.3 t80 -61.04 -49.11 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 1.25 110.853 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.553 ' CB ' ' HE1' ' B' ' 51' ' ' MET . 21.2 m-85 -57.71 -43.84 85.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 1.22 110.666 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.5 m -66.72 -28.68 68.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.873 -0.603 . . . . 1.15 110.625 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.6 t -73.65 -32.93 64.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.852 0.358 . . . . 0.99 110.486 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.613 HD11 ' CE2' ' B' ' 29' ' ' TYR . 53.1 mt -65.2 -43.54 95.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.885 0.374 . . . . 0.44 110.385 178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -79.67 -19.69 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.47 110.813 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.69 -45.68 88.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.12 0.486 . . . . 2.22 110.003 176.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -92.97 -9.26 40.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.45 0.643 . . . . 2.08 110.764 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 77.2 tttt 57.33 58.58 3.78 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.559 -1.201 . . . . 2.6 111.177 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.9 -29.93 18.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.868 -0.79 . . . . 2.11 108.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 17.2 tt -87.39 155.76 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.083 -0.962 . . . . 0.52 110.647 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 6.0 m -62.24 146.62 50.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.848 -0.614 . . . . 1.82 110.174 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.72 -27.63 69.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.407 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.4 -44.13 75.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.438 . . . . 2.29 110.187 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.459 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -69.82 -33.69 71.08 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.604 -0.726 . . . . 0.39 112.039 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -37.64 84.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.423 . . . . 0.38 110.264 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.82 -42.86 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.647 -0.706 . . . . 1.84 111.398 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.42 -29.36 67.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.87 0.366 . . . . 0.98 110.65 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 72.7 mt -70.2 -27.63 64.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.501 -0.318 . . . . 0.41 110.623 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.19 -55.08 28.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.586 -0.279 . . . . 0.48 110.87 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.49 -37.05 78.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.946 0.403 . . . . 0.36 110.348 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.508 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -64.78 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.058 -0.519 . . . . 0.37 110.908 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.553 ' HE1' ' CB ' ' B' ' 30' ' ' PHE . 12.5 tpp -58.26 -52.46 65.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.65 110.931 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.61 -31.68 71.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 1.99 110.871 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 83.4 m -62.9 -48.13 80.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.533 -0.303 . . . . 1.05 110.489 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.6 mt -59.63 -45.41 94.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-O 121.305 0.574 . . . . 0.33 110.094 177.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 22.0 m -61.24 -48.55 80.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.439 -0.8 . . . . 0.8 111.274 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -65.46 -40.78 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 2.66 110.847 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.98 83.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.41 111.631 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' B' ' 19' ' ' LYS . 26.9 m-85 -85.21 -17.56 36.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.089 -0.505 . . . . 1.24 111.441 -177.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 44.24 6.11 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.967 -0.635 . . . . 0.42 113.241 174.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.46 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.0 p90 -140.6 159.19 42.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.94 0.37 . . . . 1.23 110.274 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -92.39 148.15 22.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.146 -0.479 . . . . 2.33 110.584 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -64.45 -18.23 64.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.689 -0.687 . . . . 3.67 111.431 -178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -96.86 -1.95 44.96 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.062 0.458 . . . . 3.19 110.699 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 -0.33 30.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.66 110.989 -177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 p -60.62 -35.62 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 0.53 110.866 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 4.9 p -64.68 -35.86 82.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 1.63 110.837 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.26 -38.02 81.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.018 -0.61 . . . . 0.74 111.936 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.26 -41.24 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.073 0.463 . . . . 0.7 110.296 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.76 -1.49 16.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 1.13 111.03 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.7 -2.94 46.61 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.934 -0.651 . . . . 1.24 111.715 175.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -81.14 -45.25 16.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 3.15 110.374 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.1 m -125.48 -155.01 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.681 -0.69 . . . . 2.02 109.985 -178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -70.76 -112.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.544 0.211 . . . . 2.64 110.676 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 52.04 41.71 29.99 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.234 0.54 . . . . 1.7 110.964 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.401 ' HB2' ' OE1' ' A' ' 91' ' ' GLU . 18.2 ptpt -139.04 164.3 30.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.844 -0.617 . . . . 2.85 110.616 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.4 ' HA3' HG11 ' A' ' 89' ' ' VAL . . . 79.15 -53.36 4.15 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.267 -0.492 . . . . 2.43 112.093 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -102.07 142.39 33.42 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.851 -0.426 . . . . 3.28 109.851 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -79.21 173.88 12.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.23 -0.655 . . . . 1.95 109.23 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HD13 ' B' ' 83' ' ' LEU . 45.3 tp -54.61 -47.92 72.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.724 0.297 . . . . 0.6 110.634 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.33 -44.06 96.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.385 -0.371 . . . . 0.63 111.638 -178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -58.86 -42.0 88.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.346 0.594 . . . . 2.3 109.95 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' ALA . 50.7 mt -63.45 -49.37 82.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.153 -0.93 . . . . 0.61 111.493 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 79' ' ' LEU . 8.4 mp -63.09 -40.79 98.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.949 -0.569 . . . . 0.83 112.134 -176.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.469 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 56.3 t30 -70.67 -44.14 67.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.587 -0.278 . . . . 1.83 111.384 -176.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.0 p -72.78 -3.68 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.438 0.533 . . . . 1.5 112.438 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' ' 82' ' ' ILE . . . -74.45 62.06 0.97 Allowed 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.083 0.771 . . . . 1.7 113.083 -174.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t 58.82 -167.19 0.16 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.504 0.668 . . . . 3.09 112.143 170.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' B' ' 88' ' ' ARG . 31.3 mtt180 -126.27 135.61 51.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.223 -0.899 . . . . 5.55 109.517 173.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 44.5 t -130.44 90.27 41.7 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.307 -0.406 . . . . 3.58 110.509 -176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.25 87.86 1.49 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.79 2.326 . . . . 3.95 111.89 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.424 ' OE1' ' HB2' ' A' ' 75' ' ' LYS . 42.9 mt-10 -68.62 106.77 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 5.08 110.255 177.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.519 -0.753 . . . . 4.13 110.413 -179.851 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.933 0.396 . . . . 6.45 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 66.4 mtt 63.41 -172.47 0.17 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.928 -0.578 . . . . 4.73 111.518 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 m 56.36 78.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.142 -0.935 . . . . 2.01 112.035 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 126.38 29.68 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.567 -0.531 . . . . 1.09 109.567 173.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -76.29 165.29 25.08 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.107 -0.331 . . . . 1.32 110.107 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -50.72 -54.3 24.37 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.782 0.325 . . . . 2.1 111.418 -177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 10.0 pt-20 -58.13 -35.06 70.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 1.57 111.595 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 56.1 mt-10 -76.81 -36.63 56.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.954 -0.566 . . . . 1.54 110.745 -174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 26' ' ' ILE . 90.9 mt -65.03 -49.66 78.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.44 109.743 174.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.71 76.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.609 -0.723 . . . . 0.2 111.072 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.52 -43.83 84.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.692 177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 74' ' ' PHE . 42.5 mt -70.65 -34.67 72.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.448 -0.342 . . . . 0.46 111.119 177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 22' ' ' ILE . 69.2 mt -61.66 -51.08 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.086 -0.506 . . . . 0.27 110.641 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 34.8 m -71.61 -29.18 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.24 110.647 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -62.0 -43.61 98.47 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.307 -0.406 . . . . 1.59 110.483 174.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' A' ' 33' ' ' ILE . 29.4 t80 -58.62 -51.43 69.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.937 -0.574 . . . . 1.25 110.357 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 23.2 m-85 -61.04 -42.24 98.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.243 -0.435 . . . . 1.22 110.735 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.7 t -60.59 -41.85 95.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.15 110.496 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.5 t -65.43 -39.58 92.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.99 110.429 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 29' ' ' TYR . 61.1 mt -58.4 -50.89 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.43 110.951 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -74.89 -24.69 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.427 -0.352 . . . . 0.47 111.144 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.55 -44.82 93.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 2.22 111.027 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -100.16 9.78 42.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.038 0.447 . . . . 2.08 111.146 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.74 61.52 3.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.005 -0.998 . . . . 2.6 110.613 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.83 -9.62 36.77 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.265 -0.88 . . . . 2.12 109.28 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 15.4 tt -120.75 160.02 21.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.846 -1.07 . . . . 0.51 109.849 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -70.77 155.57 40.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.531 -0.304 . . . . 1.82 110.222 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.39 -43.89 71.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.864 0.32 . . . . 2.19 111.864 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.38 -34.84 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 2.3 110.753 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 47' ' ' LEU . . . -74.18 -36.05 51.78 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.98 -0.629 . . . . 0.39 111.746 178.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.59 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.157 0.504 . . . . 0.38 109.98 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.43 -45.59 83.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.345 -0.843 . . . . 1.84 111.107 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.3 -30.41 70.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.302 -0.408 . . . . 0.98 110.835 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 43' ' ' GLY . 66.7 mt -70.61 -19.84 62.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.499 -0.318 . . . . 0.41 111.206 175.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.84 -49.6 24.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.452 0.168 . . . . 0.48 110.703 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.5 -31.2 52.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.099 0.476 . . . . 0.36 109.971 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -66.73 -42.76 85.77 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.37 110.346 174.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.468 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 15.5 tpp -50.67 -48.67 58.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.718 -0.674 . . . . 0.65 111.479 -176.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -64.25 -50.03 69.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.632 -0.713 . . . . 1.99 111.654 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 50' ' ' ALA . 6.2 p -71.3 -36.29 71.58 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 50' ' ' ALA . 86.1 mt -59.55 -51.58 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.4 0.619 . . . . 0.34 109.859 175.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -63.41 -41.38 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.208 -0.905 . . . . 0.8 110.408 -178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.64 -33.19 73.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.042 -0.527 . . . . 2.66 111.073 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.95 70.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.359 -178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -77.28 -17.6 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.063 -0.517 . . . . 1.24 111.417 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.26 43.81 4.54 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.762 -0.732 . . . . 0.43 113.21 175.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.45 173.22 11.82 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.759 -0.46 . . . . 1.22 109.759 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.37 153.24 26.31 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.022 0.439 . . . . 2.33 110.868 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.89 -18.91 64.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.421 -0.809 . . . . 3.67 111.223 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -83.99 -5.85 59.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.8 0.333 . . . . 3.2 111.018 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 1.66 23.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.713 0.292 . . . . 0.67 111.177 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 7.7 p -62.16 -40.09 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.473 -0.33 . . . . 0.54 111.25 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -66.53 -37.15 84.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 1.63 110.698 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.64 94.58 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.909 -0.663 . . . . 0.76 111.843 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.82 -45.5 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.657 0.265 . . . . 0.71 110.667 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 65' ' ' VAL . 93.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 1.14 111.309 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.16 -31.82 80.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.932 -0.651 . . . . 1.25 111.987 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -79.89 -35.42 38.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.783 0.325 . . . . 3.16 110.998 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -73.77 -175.36 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 2.02 111.862 -175.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 75' ' ' LYS . 22.0 mm-40 -65.51 -44.87 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.059 -0.519 . . . . 2.64 110.627 175.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.574 ' CD2' HD11 ' A' ' 25' ' ' LEU . 12.8 m-85 -95.97 69.9 2.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.746 -0.661 . . . . 1.7 111.983 -164.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.591 ' H ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -96.39 120.88 37.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.952 -0.567 . . . . 2.85 109.687 172.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.69 6.24 60.93 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.941 -0.647 . . . . 2.42 111.63 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -127.33 143.37 51.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.983 -0.377 . . . . 3.28 109.983 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -97.06 159.22 15.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.085 -0.709 . . . . 1.96 109.085 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.429 ' O ' ' HB ' ' A' ' 82' ' ' ILE . 54.6 tp -54.27 -43.85 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.103 0.478 . . . . 0.6 110.934 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 29' ' ' TYR . . . -65.65 -31.28 72.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 0.63 112.102 -176.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -60.31 -40.03 89.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.419 0.628 . . . . 2.3 109.629 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' ' 79' ' ' LEU . 98.0 mt -59.1 -53.33 49.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 114.799 -1.091 . . . . 0.61 110.948 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.47 -26.0 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.775 -0.648 . . . . 0.83 111.532 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.49 -34.84 65.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 1.83 110.637 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.7 t -85.58 -17.59 35.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 1.5 110.981 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 15' ' ' MET . . . -84.63 157.54 21.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.544 -0.298 . . . . 1.71 110.675 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.5 t -151.18 141.66 22.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.921 0.391 . . . . 3.09 110.735 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' B' ' 73' ' ' GLU . 22.8 mmt180 -142.01 92.82 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.895 -0.593 . . . . 5.55 110.0 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.2 t -105.9 117.74 56.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.987 -0.552 . . . . 3.58 109.635 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.79 155.54 34.85 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.542 2.161 . . . . 3.95 112.86 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.94 154.61 31.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.606 -0.724 . . . . 5.08 109.823 177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.847 -0.597 . . . . 4.12 111.044 -177.063 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.914 0.388 . . . . 6.44 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 66.6 mtt 63.11 -172.5 0.16 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.938 -0.574 . . . . 4.73 111.55 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.9 m 56.47 78.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.199 -0.91 . . . . 2.01 112.084 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.26 126.36 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.628 -0.508 . . . . 1.09 109.628 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.4 m -76.1 165.12 25.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.077 -0.342 . . . . 1.33 110.077 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.61 -54.49 22.34 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.932 0.396 . . . . 2.1 111.366 -177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 10.0 pt-20 -58.06 -35.22 71.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.823 -0.626 . . . . 1.58 111.472 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 55.2 mt-10 -76.75 -36.58 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.015 -0.538 . . . . 1.54 110.706 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.522 ' O ' HG13 ' B' ' 26' ' ' ILE . 91.3 mt -65.0 -49.71 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 0.44 109.729 174.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.8 76.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.508 -0.769 . . . . 0.2 111.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.91 84.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.029 -0.532 . . . . 0.31 110.687 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.562 HD11 ' CD2' ' B' ' 74' ' ' PHE . 42.7 mt -70.58 -34.71 72.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.497 -0.319 . . . . 0.46 111.153 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 22' ' ' ILE . 69.1 mt -61.67 -51.13 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.019 -0.537 . . . . 0.27 110.653 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 34.8 m -71.56 -29.12 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.573 -0.285 . . . . 0.23 110.579 178.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -62.11 -43.49 98.72 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.359 -0.382 . . . . 1.58 110.426 174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.575 ' O ' HG13 ' B' ' 33' ' ' ILE . 29.3 t80 -58.7 -51.47 69.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.942 -0.572 . . . . 1.25 110.357 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' HE1' ' B' ' 51' ' ' MET . 23.1 m-85 -61.03 -42.2 98.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 1.22 110.825 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 32.6 t -60.68 -41.89 96.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 1.15 110.339 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.2 t -65.35 -39.55 92.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.99 110.455 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.575 HG13 ' O ' ' B' ' 29' ' ' TYR . 61.3 mt -58.37 -50.84 77.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.44 111.019 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.05 -24.36 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 0.47 111.221 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.76 -44.87 92.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 2.22 110.999 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -100.08 9.59 42.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.066 0.46 . . . . 2.08 111.178 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt 50.99 61.19 3.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.018 -0.992 . . . . 2.6 110.687 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -93.6 -9.69 37.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.191 -0.913 . . . . 2.11 109.208 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 15.4 tt -120.59 160.07 21.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.95 -1.023 . . . . 0.52 109.818 -179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -70.83 155.6 40.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.18 -0.304 . . . . 1.82 110.18 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -54.33 -44.08 71.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.718 0.294 . . . . 2.19 111.79 -174.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.08 -34.94 75.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.391 -0.368 . . . . 2.29 110.791 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' B' ' 47' ' ' LEU . . . -74.15 -36.19 51.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.011 -0.614 . . . . 0.39 111.727 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.67 81.36 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.312 0.577 . . . . 0.38 110.038 176.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.32 -45.57 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.267 -0.879 . . . . 1.84 110.965 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -67.45 -30.36 70.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.98 110.83 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 43' ' ' GLY . 66.6 mt -70.61 -20.0 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.41 111.168 175.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -73.77 -49.54 24.94 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.265 -0.174 . . . . 0.48 110.751 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.35 -31.5 53.88 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.014 0.435 . . . . 0.36 109.967 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.582 ' HA ' ' SG ' ' B' ' 53' ' ' CYS . . . -66.57 -42.73 86.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.858 -0.61 . . . . 0.37 110.316 175.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 15.5 tpp -50.74 -48.62 59.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.65 111.493 -176.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.38 -50.0 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 1.99 111.525 -178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' B' ' 50' ' ' ALA . 6.2 p -71.33 -36.16 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.985 0.365 . . . . 1.05 111.985 -174.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.505 HG13 ' O ' ' B' ' 50' ' ' ALA . 86.9 mt -59.75 -51.42 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 121.3 0.571 . . . . 0.33 109.8 175.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -63.44 -41.33 98.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.276 -0.874 . . . . 0.8 110.403 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.67 -33.33 73.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 2.66 110.959 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -50.78 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.41 111.382 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -77.45 -17.4 58.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.988 -0.551 . . . . 1.24 111.387 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.94 44.1 4.56 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.72 -0.753 . . . . 0.42 113.198 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.61 173.25 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.745 -0.465 . . . . 1.23 109.745 174.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.39 153.29 26.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.051 0.453 . . . . 2.33 110.782 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -63.91 -18.93 64.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.304 -0.862 . . . . 3.67 111.133 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.15 -5.64 59.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.808 0.337 . . . . 3.19 111.019 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.63 1.71 23.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.504 -0.317 . . . . 0.66 111.248 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' B' ' 69' ' ' LEU . 7.8 p -62.2 -40.11 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.53 111.206 -176.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.9 m -66.54 -36.95 83.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.78 0.324 . . . . 1.63 110.687 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.5 -43.91 93.92 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.93 -0.653 . . . . 0.74 111.837 177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.51 -45.51 97.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.75 0.31 . . . . 0.7 110.689 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 65' ' ' VAL . 93.8 mt -63.09 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 1.13 111.223 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.21 -31.96 80.9 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.901 -0.666 . . . . 1.24 111.967 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -79.68 -35.46 39.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.742 0.306 . . . . 3.15 111.048 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 89.0 p -73.74 -175.45 2.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.027 0.441 . . . . 2.02 111.831 -175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.434 ' O ' ' HD3' ' B' ' 75' ' ' LYS . 21.8 mm-40 -65.39 -44.97 85.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.206 0.527 . . . . 2.64 110.656 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' B' ' 25' ' ' LEU . 12.3 m-85 -95.77 69.92 2.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.756 -0.656 . . . . 1.7 111.974 -164.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' B' ' 75' ' ' LYS . 0.0 OUTLIER -96.58 121.08 38.01 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.964 -0.562 . . . . 2.85 109.744 172.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.43 6.37 61.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.947 -0.644 . . . . 2.43 111.595 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -126.99 143.61 51.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.062 -0.347 . . . . 3.28 110.062 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -97.13 159.19 15.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.138 -0.69 . . . . 1.95 109.138 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' B' ' 82' ' ' ILE . 54.9 tp -54.3 -43.82 71.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.135 0.493 . . . . 0.6 110.932 -179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' B' ' 29' ' ' TYR . . . -65.48 -31.44 72.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.63 112.126 -176.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -60.36 -39.91 88.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.461 0.648 . . . . 2.3 109.603 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' B' ' 79' ' ' LEU . 98.0 mt -59.14 -53.46 47.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.885 -1.052 . . . . 0.61 110.9 176.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.5 -25.84 62.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.852 -0.613 . . . . 0.83 111.512 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -73.5 -34.91 65.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.411 -0.359 . . . . 1.83 110.7 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 29.4 t -85.47 -17.72 35.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 1.5 110.918 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.402 ' O ' ' HA ' ' A' ' 15' ' ' MET . . . -84.74 157.54 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.678 0.275 . . . . 1.7 110.647 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 19.6 t -151.13 141.84 22.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.864 0.364 . . . . 3.09 110.647 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 22.9 mmt180 -142.2 92.79 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.887 -0.597 . . . . 5.55 110.075 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 54.3 t -105.89 117.81 56.76 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.073 -0.512 . . . . 3.58 109.708 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.84 155.46 34.58 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.605 2.203 . . . . 3.95 112.91 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -117.91 154.3 32.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.738 -0.664 . . . . 5.08 109.852 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.831 -0.604 . . . . 4.13 111.166 -177.062 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.779 ' N ' ' HG ' ' A' ' 18' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.373 0.13 . . . . 6.45 111.007 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt 67.9 16.71 9.64 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.151 0.58 . . . . 4.73 111.796 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -143.84 26.5 1.54 Allowed 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.63 -0.714 . . . . 2.01 110.336 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 48.97 51.41 16.17 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.899 -0.591 . . . . 1.09 109.686 -170.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.779 ' HG ' ' N ' ' A' ' 14' ' ' MET . 18.1 m -71.8 163.75 27.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.423 -0.808 . . . . 1.32 110.907 -176.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -51.95 -46.41 64.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.219 0.533 . . . . 2.1 110.608 -177.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -57.55 -41.51 81.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.029 -0.987 . . . . 1.57 111.69 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.563 ' CD ' ' HA ' ' A' ' 14' ' ' MET . 43.1 mt-10 -68.82 -44.02 74.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 1.54 110.504 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 26' ' ' ILE . 48.3 mt -64.35 -49.56 80.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.292 -0.867 . . . . 0.44 110.515 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.09 -37.7 77.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.2 111.087 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.1 86.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 0.31 110.745 177.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 79' ' ' LEU . 97.7 mt -68.1 -34.09 75.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.051 -0.522 . . . . 0.46 110.859 179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 22' ' ' ILE . 77.0 mt -63.63 -52.18 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.079 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.2 m -69.13 -27.13 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.24 110.472 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -62.89 -47.12 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.59 110.366 175.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.473 ' O ' HG13 ' A' ' 33' ' ' ILE . 39.7 t80 -58.68 -51.46 69.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.071 -0.513 . . . . 1.25 110.887 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.88 -41.47 91.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.264 -0.426 . . . . 1.22 110.876 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.1 m -63.32 -35.54 80.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 1.15 110.902 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.584 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 49.5 m -64.36 -38.15 90.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.745 0.307 . . . . 0.99 110.859 179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 29' ' ' TYR . 29.2 mt -68.09 -43.97 84.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.936 0.398 . . . . 0.43 110.964 -178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.14 -30.89 17.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.47 111.392 -176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.32 -37.86 88.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.524 -0.307 . . . . 2.22 111.068 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 32' ' ' SER . 46.7 pttt -90.48 1.78 56.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 2.08 111.048 178.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 55.27 48.62 18.9 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.415 -0.811 . . . . 2.6 110.787 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -93.09 -28.86 16.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.451 0.644 . . . . 2.12 109.79 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 19.4 tt -93.84 151.38 3.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.252 -0.885 . . . . 0.51 109.796 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.4 m -64.33 153.02 39.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.467 -0.333 . . . . 1.82 111.249 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.59 -47.27 63.6 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.085 0.402 . . . . 2.19 112.085 -173.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -57.87 -45.64 86.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.544 -0.298 . . . . 2.3 111.061 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.95 -38.4 96.01 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.033 -0.603 . . . . 0.39 112.024 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.7 -47.2 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.971 0.415 . . . . 0.38 110.692 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.83 -36.42 82.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.865 -0.607 . . . . 1.84 110.668 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.2 t -62.8 -39.66 94.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.72 -0.673 . . . . 0.98 110.08 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.73 -25.97 66.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.41 111.309 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -67.34 -52.88 34.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.781 -0.19 . . . . 0.48 111.245 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 p -64.53 -34.82 72.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.93 0.395 . . . . 0.36 109.949 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -63.78 -42.1 97.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 0.37 110.478 176.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.5 ttm -67.76 -36.54 80.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.65 111.436 -175.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -64.4 -33.82 76.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.195 0.521 . . . . 1.99 109.822 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 75.8 m -72.0 -46.21 58.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.491 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.3 mt -55.7 -53.63 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.113 0.482 . . . . 0.34 110.507 177.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 60' ' ' PHE . 14.0 p -60.05 -46.67 88.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.646 -0.706 . . . . 0.8 111.553 -176.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.61 -33.28 74.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 2.66 111.065 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -35.26 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.42 111.543 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 54' ' ' ILE . 51.5 m-85 -94.61 -20.86 19.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 1.24 111.041 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 43.94 2.1 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.811 -0.709 . . . . 0.43 113.555 173.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 55' ' ' SER . 50.7 p90 -150.14 179.9 7.72 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.04 0.42 . . . . 1.22 110.012 175.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.72 169.9 9.01 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.32 -0.252 . . . . 2.33 110.32 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.677 ' O ' HG12 ' A' ' 65' ' ' VAL . 68.1 ttt180 -60.79 -45.34 94.76 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.75 0.278 . . . . 3.67 111.75 -174.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -67.96 -9.54 46.18 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.747 0.277 . . . . 3.2 111.747 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 68' ' ' ILE . . . -82.57 -14.16 55.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.741 -0.209 . . . . 0.67 111.397 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 62' ' ' ARG . 8.6 p -60.55 -35.21 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.843 0.354 . . . . 0.54 110.776 -178.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -62.36 -35.3 78.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 1.63 110.527 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.27 -41.07 27.15 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.967 -0.635 . . . . 0.76 111.975 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 64' ' ' ALA . 58.7 mt -61.14 -45.18 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.807 0.336 . . . . 0.71 110.303 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 72' ' ' SER . 87.5 mt -72.87 -0.9 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 1.14 111.439 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.03 -25.86 10.09 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.792 -0.718 . . . . 1.25 111.691 175.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.39 -24.52 13.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.047 0.451 . . . . 3.16 111.056 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 69' ' ' LEU . 57.3 p -75.18 173.7 10.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.554 . . . . 2.02 111.215 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -90.8 13.09 17.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.877 -0.601 . . . . 2.64 110.782 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.433 ' CG ' HD11 ' A' ' 25' ' ' LEU . 80.6 m-85 -115.78 48.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.389 0.614 . . . . 1.7 109.867 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.495 ' HB2' ' HD2' ' B' ' 90' ' ' PRO . 29.4 mtpp -77.35 -23.35 50.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.446 -0.797 . . . . 2.85 110.46 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' GLN . . . -114.5 133.15 10.9 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.977 -0.63 . . . . 2.42 111.684 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' GLY . 51.9 mt-30 72.53 134.15 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.602 0.715 . . . . 3.28 111.312 -177.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -84.22 -177.19 6.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.65 -0.705 . . . . 1.96 109.271 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 38.0 tp -55.25 -54.17 46.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.6 111.289 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.17 -30.82 71.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.327 -0.397 . . . . 0.63 111.402 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -65.27 -43.53 90.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.54 0.686 . . . . 2.3 109.572 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.08 -50.34 80.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.848 -1.069 . . . . 0.61 110.798 176.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.83 111.082 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -69.7 -17.94 63.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.269 0.557 . . . . 1.83 110.542 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.5 m -89.36 -8.89 52.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.866 -0.606 . . . . 1.5 110.964 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.95 158.99 27.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.536 -0.302 . . . . 1.71 111.207 -177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.9 t -171.5 135.62 0.93 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.672 -0.492 . . . . 3.09 109.672 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -147.5 116.78 6.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 5.55 111.117 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 45.6 t -120.21 83.33 31.96 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.07 -0.514 . . . . 3.58 110.637 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.515 ' HD2' ' HB2' ' B' ' 75' ' ' LYS . 6.3 Cg_exo -79.54 170.98 16.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.005 2.47 . . . . 3.95 110.953 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 59.46 47.29 11.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.703 0.763 . . . . 5.08 109.445 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.218 -0.901 . . . . 4.12 109.786 -176.586 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . 0.773 ' N ' ' HG ' ' B' ' 18' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.341 0.115 . . . . 6.44 111.062 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.2 mtt 68.05 16.53 9.51 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.631 0.582 . . . . 4.73 111.774 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -143.61 26.33 1.59 Allowed 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.599 -0.728 . . . . 2.01 110.28 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 49.07 51.47 16.15 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.904 -0.589 . . . . 1.09 109.642 -170.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.773 ' HG ' ' N ' ' B' ' 14' ' ' MET . 18.1 m -71.94 163.59 27.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.337 -0.847 . . . . 1.33 110.973 -176.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -51.81 -46.44 64.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.182 0.515 . . . . 2.1 110.578 -177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -57.75 -41.33 81.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.073 -0.967 . . . . 1.58 111.635 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.559 ' CD ' ' HA ' ' B' ' 14' ' ' MET . 43.2 mt-10 -68.93 -44.12 73.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.271 0.558 . . . . 1.54 110.449 -177.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.489 ' O ' HG13 ' B' ' 26' ' ' ILE . 47.4 mt -64.14 -49.67 80.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.303 -0.862 . . . . 0.44 110.551 -179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.54 77.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.2 111.089 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.17 86.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.913 -0.585 . . . . 0.31 110.703 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 79' ' ' LEU . 97.3 mt -68.0 -34.09 75.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.915 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 22' ' ' ILE . 76.4 mt -63.74 -52.12 61.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.051 -0.522 . . . . 0.27 111.113 178.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.09 -27.21 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.23 110.424 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.87 -47.17 84.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.841 -0.618 . . . . 1.58 110.333 175.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.462 ' O ' HG13 ' B' ' 33' ' ' ILE . 40.0 t80 -58.61 -51.59 69.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.107 -0.497 . . . . 1.25 110.84 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -59.75 -41.45 91.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.398 -0.365 . . . . 1.22 110.868 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -63.53 -35.27 79.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.33 -0.396 . . . . 1.15 110.882 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 36' ' ' LYS . 50.8 m -64.6 -38.19 90.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.869 0.366 . . . . 0.99 110.823 179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.462 HG13 ' O ' ' B' ' 29' ' ' TYR . 29.1 mt -67.92 -43.96 85.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.937 0.399 . . . . 0.44 111.036 -178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.12 -31.02 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.47 111.395 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.23 -37.84 88.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.776 0.322 . . . . 2.22 111.101 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 32' ' ' SER . 46.6 pttt -90.35 1.43 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.417 . . . . 2.08 111.169 178.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.4 tttm 55.58 48.66 18.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.335 -0.848 . . . . 2.6 110.776 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -93.21 -28.66 16.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.583 0.706 . . . . 2.11 109.81 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.429 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 19.4 tt -94.14 151.33 3.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.22 -0.9 . . . . 0.52 109.797 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 18.6 m -64.38 153.17 39.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.419 -0.355 . . . . 1.82 111.194 -178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -51.75 -47.24 64.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.151 0.426 . . . . 2.19 112.151 -172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -58.05 -45.53 86.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.585 -0.279 . . . . 2.29 110.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.4 96.07 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.045 -0.598 . . . . 0.39 112.119 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.23 84.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.38 110.773 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.91 -36.33 82.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.712 -0.676 . . . . 1.84 110.621 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.3 t -62.81 -39.66 94.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.743 -0.662 . . . . 0.98 110.09 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.7 -26.17 66.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.945 -0.57 . . . . 0.41 111.328 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -67.19 -53.02 34.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.787 -0.188 . . . . 0.48 111.25 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 p -64.37 -34.86 72.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 121.027 0.441 . . . . 0.36 109.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.614 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -63.81 -42.05 97.77 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.37 110.507 176.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.424 ' HE3' ' HB2' ' B' ' 51' ' ' MET . 11.3 ttm -67.66 -36.72 81.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.65 111.451 -175.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.32 -33.78 76.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.368 0.604 . . . . 1.99 109.877 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 77.7 m -72.04 -46.07 58.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.554 -0.748 . . . . 1.05 110.484 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.614 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.1 mt -55.92 -53.54 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 121.063 0.459 . . . . 0.33 110.463 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' B' ' 60' ' ' PHE . 14.2 p -60.04 -46.6 89.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.8 111.582 -176.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -67.86 -32.98 73.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 2.66 111.163 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.22 -35.3 80.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.332 -0.395 . . . . 0.41 111.453 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 54' ' ' ILE . 51.5 m-85 -94.82 -20.53 19.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.968 0.413 . . . . 1.24 111.1 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 44.06 2.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.42 113.618 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' B' ' 55' ' ' SER . 50.9 p90 -150.26 -179.91 7.58 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.938 -0.393 . . . . 1.23 109.938 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -116.77 169.79 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.397 -0.223 . . . . 2.33 110.397 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.686 ' O ' HG12 ' B' ' 65' ' ' VAL . 68.4 ttt180 -60.89 -45.13 95.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.724 0.268 . . . . 3.67 111.724 -174.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.3 -9.36 47.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.163 -0.336 . . . . 3.19 111.76 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 68' ' ' ILE . . . -82.71 -14.11 55.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.701 -0.227 . . . . 0.66 111.401 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.686 HG12 ' O ' ' B' ' 62' ' ' ARG . 8.9 p -60.44 -35.35 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.847 0.356 . . . . 0.53 110.89 -179.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.7 m -62.17 -35.27 78.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 1.63 110.637 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.41 -40.95 26.76 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.992 -0.549 . . . . 0.74 112.028 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.438 HG13 ' O ' ' B' ' 64' ' ' ALA . 58.3 mt -61.25 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.714 0.292 . . . . 0.7 110.288 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 87.3 mt -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 1.13 111.471 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.18 -25.65 10.14 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.771 -0.728 . . . . 1.24 111.68 175.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -102.46 -24.75 13.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.988 0.423 . . . . 3.15 110.989 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 57.6 p -74.96 173.79 10.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.022 -0.536 . . . . 2.02 111.239 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -90.91 13.07 17.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 2.64 110.77 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' B' ' 25' ' ' LEU . 80.0 m-85 -115.72 48.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 1.7 109.813 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.515 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . 29.4 mtpp -77.27 -23.45 51.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.407 -0.815 . . . . 2.85 110.422 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' B' ' 77' ' ' GLN . . . -114.48 133.08 10.86 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.013 -0.613 . . . . 2.43 111.724 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' B' ' 76' ' ' GLY . 51.5 mt-30 72.63 134.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.543 0.687 . . . . 3.28 111.204 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -84.45 -177.29 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.596 -0.729 . . . . 1.95 109.315 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' B' ' 25' ' ' LEU . 37.9 tp -55.13 -54.23 45.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.6 111.379 -176.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.97 71.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.314 -0.403 . . . . 0.63 111.379 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -65.29 -43.68 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.428 0.632 . . . . 2.3 109.5 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.03 -50.24 80.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 114.882 -1.054 . . . . 0.61 110.874 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.49 -34.16 77.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.83 111.008 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -69.87 -17.36 63.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.138 0.494 . . . . 1.83 110.521 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 27.6 m -90.89 -7.09 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.043 -0.526 . . . . 1.5 110.779 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.14 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 1.7 111.136 -177.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 11.9 t -171.48 135.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.608 -0.516 . . . . 3.09 109.608 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -147.58 116.67 6.87 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.779 0.324 . . . . 5.55 111.125 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 46.1 t -120.23 83.34 32.12 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.055 -0.521 . . . . 3.58 110.57 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 75' ' ' LYS . 6.3 Cg_exo -79.7 171.31 15.8 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.931 2.421 . . . . 3.95 110.822 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 59.2 47.58 11.5 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.79 0.805 . . . . 5.08 109.427 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.249 1.067 0 CA-C-N 115.144 -0.934 . . . . 4.13 109.85 -176.662 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.161 -0.311 . . . . 6.45 110.161 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.409 ' SD ' ' HB3' ' A' ' 72' ' ' SER . 84.0 mtp -99.73 153.25 19.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.699 -0.482 . . . . 4.73 109.699 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.586 ' HA ' ' OD1' ' B' ' 84' ' ' ASN . 19.0 m -84.95 25.51 0.94 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.169 0.433 . . . . 2.01 112.169 -172.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.33 90.42 0.05 Allowed 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.562 0.539 . . . . 1.09 111.242 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.64 157.7 36.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.24 -0.436 . . . . 1.32 110.125 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.88 -51.39 57.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 2.1 111.244 -177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.77 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.789 -0.641 . . . . 1.57 111.526 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' HG3' ' A' ' 20' ' ' GLU . 90.6 mt-10 -76.28 -37.55 57.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.15 -0.477 . . . . 1.54 110.939 -175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 76.4 mt -66.16 -49.59 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 0.44 109.765 175.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.06 72.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.2 110.682 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.55 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.31 110.669 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 74' ' ' PHE . 75.5 mt -66.86 -37.37 84.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.307 -0.406 . . . . 0.46 111.038 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 22' ' ' ILE . 73.6 mt -62.01 -51.02 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.077 -0.51 . . . . 0.27 111.162 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.563 ' HB ' ' SD ' ' A' ' 51' ' ' MET . 28.6 m -68.91 -32.94 56.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.93 -0.308 . . . . 0.24 110.667 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -66.99 -32.58 73.91 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.073 0.463 . . . . 1.59 110.233 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' O ' HG13 ' A' ' 33' ' ' ILE . 54.3 t80 -68.68 -51.83 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.826 -0.624 . . . . 1.25 110.697 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HB2' ' HE1' ' A' ' 51' ' ' MET . 18.4 m-85 -61.17 -44.75 96.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.318 -0.401 . . . . 1.22 111.259 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HA ' HG22 ' A' ' 34' ' ' VAL . 25.4 p -67.49 -22.24 65.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.404 -0.362 . . . . 1.15 111.121 -178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -71.84 -41.53 68.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.9 0.381 . . . . 0.99 110.238 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 29' ' ' TYR . 16.6 mt -66.45 -39.29 83.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.181 -0.463 . . . . 0.43 110.836 -177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 31' ' ' SER . 20.6 m -76.48 -27.12 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.47 110.635 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.55 74.11 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.127 0.489 . . . . 2.22 110.119 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.83 -1.95 49.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.841 -0.618 . . . . 2.08 110.855 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' CE ' ' HG2' ' A' ' 41' ' ' GLU . 19.7 tptm 55.93 45.63 23.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.858 -1.064 . . . . 2.6 111.43 175.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.75 -18.01 18.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.323 0.582 . . . . 2.12 110.235 -177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 33' ' ' ILE . 18.6 tt -94.12 150.78 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.823 -0.626 . . . . 0.51 110.149 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.1 m -59.01 138.53 57.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 1.82 110.558 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 37' ' ' LYS . 39.3 mt-10 -62.32 -29.63 70.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.267 -0.879 . . . . 2.19 112.326 -170.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.56 -46.96 71.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.037 0.446 . . . . 2.3 109.989 176.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.47 85.66 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.684 -0.689 . . . . 0.39 111.898 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.47 89.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.947 0.404 . . . . 0.38 110.45 176.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.48 -41.21 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.866 -0.606 . . . . 1.84 110.497 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -62.14 -34.63 76.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.748 -0.66 . . . . 0.98 110.384 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.6 mt -71.75 -27.19 62.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 0.41 110.98 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.4 HD22 ' HA ' ' A' ' 48' ' ' ASN . 12.8 m120 -68.19 -50.35 54.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.727 -0.215 . . . . 0.48 110.801 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.64 -35.48 75.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.019 0.438 . . . . 0.36 110.207 177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 54' ' ' ILE . . . -66.65 -34.52 78.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.37 110.642 176.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.563 ' SD ' ' HB ' ' A' ' 27' ' ' VAL . 23.4 tpp -57.39 -48.66 78.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.956 -0.565 . . . . 0.65 110.776 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -43.99 94.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.602 -0.726 . . . . 1.99 110.214 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.49 -46.91 86.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.608 -0.723 . . . . 1.05 111.689 -177.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 50' ' ' ALA . 70.0 mt -60.37 -51.01 77.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.014 0.435 . . . . 0.34 110.325 179.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 60' ' ' PHE . 18.7 m -59.81 -46.45 89.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.631 -0.713 . . . . 0.8 110.726 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.36 -42.42 99.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.932 -0.577 . . . . 2.66 111.268 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.3 91.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.42 111.754 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -91.4 -12.09 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.841 0.353 . . . . 1.24 111.486 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.56 39.73 9.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.99 -0.624 . . . . 0.43 113.257 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 55' ' ' SER . 39.3 p90 -138.37 164.89 28.17 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.038 0.419 . . . . 1.22 109.904 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -98.02 143.72 28.28 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.982 0.42 . . . . 2.33 110.441 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.4 ptt180 -60.12 -19.83 55.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.417 -0.811 . . . . 3.67 111.293 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -84.79 -15.53 44.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.354 -0.384 . . . . 3.2 110.685 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 -0.27 53.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.67 111.483 -175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 62' ' ' ARG . 3.8 p -58.47 -38.85 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.834 0.349 . . . . 0.54 111.17 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t -63.3 -37.13 86.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 1.63 110.128 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.32 -39.7 70.5 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.847 -0.615 . . . . 0.76 112.183 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.56 -48.2 89.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.069 0.462 . . . . 0.71 110.622 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.25 -36.72 82.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 1.14 110.826 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.27 -26.27 72.5 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.78 -0.724 . . . . 1.25 112.061 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -68.99 -57.35 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.912 0.387 . . . . 3.16 111.148 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HB3' ' SD ' ' A' ' 15' ' ' MET . 39.3 m -98.64 -115.06 0.15 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.152 -0.476 . . . . 2.02 111.149 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -126.04 -147.73 0.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.0 -0.371 . . . . 2.64 110.0 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 25' ' ' LEU . 70.3 m-85 67.9 32.44 5.18 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.673 0.749 . . . . 1.7 109.78 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 72' ' ' SER . 92.3 mttt -92.46 154.48 18.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.928 -1.033 . . . . 2.85 110.265 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.27 -66.39 2.92 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.132 -0.556 . . . . 2.42 112.445 179.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -82.31 136.83 34.96 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.981 -0.377 . . . . 3.28 109.981 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -91.22 -179.72 5.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.569 -0.53 . . . . 1.96 109.569 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' LEU . 40.7 tp -56.09 -53.28 58.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.809 0.338 . . . . 0.6 110.83 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.43 72.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.365 . . . . 0.63 111.478 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.41 -45.57 87.02 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.333 0.587 . . . . 2.3 109.682 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' B' ' 86' ' ' ALA . 46.7 mt -58.44 -50.34 79.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 0.61 111.159 177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 79' ' ' LEU . 10.6 mp -60.07 -38.61 83.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.83 111.089 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' B' ' 16' ' ' SER . 8.7 t30 -69.52 -37.51 77.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.83 110.784 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.6 t -69.53 -28.42 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.085 0.469 . . . . 1.5 110.501 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' B' ' 82' ' ' ILE . . . -98.52 22.92 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.238 -0.437 . . . . 1.71 111.068 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.2 t -55.49 142.87 31.31 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.78 -0.646 . . . . 3.09 111.134 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -126.33 146.39 50.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.976 -0.556 . . . . 5.55 110.464 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p -85.37 118.2 70.28 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 109.936 -0.394 . . . . 3.58 109.936 174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.71 97.92 0.23 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.799 2.332 . . . . 3.95 112.219 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.36 88.73 7.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.042 -0.526 . . . . 5.08 109.973 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.494 -0.765 . . . . 4.12 110.487 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.784 0.326 . . . . 6.44 110.174 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.4 ' SD ' ' HB3' ' B' ' 72' ' ' SER . 83.5 mtp -99.83 153.0 19.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.741 -0.466 . . . . 4.73 109.741 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.587 ' HA ' ' OD1' ' A' ' 84' ' ' ASN . 17.7 m -84.68 25.47 0.91 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.213 -0.449 . . . . 2.01 112.142 -172.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.24 90.45 0.05 Allowed 'General case' 0 C--O 1.232 0.184 0 O-C-N 123.634 0.584 . . . . 1.09 111.287 -179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.9 m -73.71 157.63 36.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.157 -0.474 . . . . 1.33 110.226 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -51.73 -51.51 55.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.958 0.408 . . . . 2.1 111.19 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 21' ' ' GLU . 11.4 pt-20 -60.63 -33.72 73.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.644 -0.707 . . . . 1.58 111.512 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' B' ' 20' ' ' GLU . 90.3 mt-10 -76.31 -37.44 57.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.134 -0.485 . . . . 1.54 110.945 -175.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.5 ' O ' HG13 ' B' ' 26' ' ' ILE . 76.4 mt -66.2 -49.54 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.101 -0.5 . . . . 0.44 109.859 175.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -33.07 72.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.715 -0.675 . . . . 0.2 110.719 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.65 -49.43 75.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.31 110.643 176.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' B' ' 74' ' ' PHE . 75.1 mt -66.94 -37.37 84.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.374 -0.375 . . . . 0.46 110.979 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 22' ' ' ILE . 74.0 mt -62.03 -50.99 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.163 -0.471 . . . . 0.27 111.173 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.555 ' HB ' ' SD ' ' B' ' 51' ' ' MET . 28.6 m -68.99 -32.8 55.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 C-N-CA 120.86 -0.336 . . . . 0.23 110.763 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -67.05 -32.46 73.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.199 0.523 . . . . 1.58 110.37 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' TYR . . . . . 0.422 ' O ' HG13 ' B' ' 33' ' ' ILE . 54.0 t80 -68.77 -51.83 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.754 -0.657 . . . . 1.25 110.693 177.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.16 -44.76 96.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.366 -0.379 . . . . 1.22 111.235 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -67.61 -22.14 65.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.373 -0.376 . . . . 1.15 111.121 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -71.98 -41.56 67.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.99 110.085 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.422 HG13 ' O ' ' B' ' 29' ' ' TYR . 16.6 mt -66.43 -39.33 83.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.157 -0.474 . . . . 0.44 110.822 -177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 20.6 m -76.45 -27.08 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.47 110.63 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.76 -48.81 73.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.133 0.492 . . . . 2.22 110.021 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 -1.81 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 2.08 110.945 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.433 ' CE ' ' HG2' ' B' ' 41' ' ' GLU . 19.8 tptm 55.96 45.29 24.18 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 114.78 -1.1 . . . . 2.6 111.47 175.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -98.29 -18.39 18.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.189 0.519 . . . . 2.11 110.246 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.419 ' HB ' ' CG2' ' B' ' 33' ' ' ILE . 18.6 tt -93.71 150.75 3.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.855 -0.612 . . . . 0.52 110.152 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 44.7 m -58.91 138.54 57.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.895 -0.593 . . . . 1.82 110.607 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.433 ' HG2' ' CE ' ' B' ' 37' ' ' LYS . 40.0 mt-10 -62.7 -29.4 70.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.215 -0.902 . . . . 2.19 112.284 -169.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 -47.02 71.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.022 0.439 . . . . 2.29 110.077 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.88 -33.6 86.2 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.604 -0.726 . . . . 0.39 111.884 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.38 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.38 110.364 176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -65.64 -41.04 93.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 1.84 110.529 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.7 m -62.21 -34.54 76.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.768 -0.651 . . . . 0.98 110.449 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.9 mt -71.74 -27.31 62.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.41 110.97 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -68.25 -50.06 56.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.625 -0.261 . . . . 0.48 110.94 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.69 -35.62 75.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.36 110.101 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.522 ' O ' HG13 ' B' ' 54' ' ' ILE . . . -66.67 -34.45 77.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.37 110.622 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' MET . . . . . 0.555 ' SD ' ' HB ' ' B' ' 27' ' ' VAL . 23.3 tpp -57.42 -48.59 78.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.995 -0.548 . . . . 0.65 110.818 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.84 -44.07 94.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.588 -0.733 . . . . 1.99 110.21 176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 85.8 m -62.56 -46.93 86.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.532 -0.758 . . . . 1.05 111.706 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 50' ' ' ALA . 70.4 mt -60.41 -50.93 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.032 0.444 . . . . 0.33 110.262 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.465 ' HB3' ' O ' ' B' ' 60' ' ' PHE . 18.7 m -59.87 -46.46 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.575 -0.739 . . . . 0.8 110.72 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.38 -42.41 99.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 2.66 111.271 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.19 90.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.034 -0.53 . . . . 0.41 111.776 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -91.5 -12.34 34.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.913 0.387 . . . . 1.24 111.46 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.69 39.59 9.5 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.886 -0.673 . . . . 0.42 113.279 174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' B' ' 55' ' ' SER . 39.5 p90 -138.18 165.1 27.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.911 -0.403 . . . . 1.23 109.911 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -98.18 143.68 28.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.038 0.447 . . . . 2.33 110.428 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . 0.442 ' O ' HG12 ' B' ' 65' ' ' VAL . 20.7 ptt180 -60.09 -19.8 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.389 -0.823 . . . . 3.67 111.323 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -84.81 -15.48 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.975 0.417 . . . . 3.19 110.797 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.36 -0.33 52.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.172 -0.467 . . . . 0.66 111.533 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.442 HG12 ' O ' ' B' ' 62' ' ' ARG . 3.8 p -58.39 -38.9 72.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.778 0.323 . . . . 0.53 111.136 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 23.0 t -63.52 -36.76 84.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.63 110.187 178.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.53 -39.64 68.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.032 -0.604 . . . . 0.74 112.169 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.53 -48.22 89.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-O 120.971 0.415 . . . . 0.7 110.686 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -36.75 82.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.844 -0.617 . . . . 1.13 110.859 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.16 -26.42 72.3 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 1.24 112.222 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.89 -57.43 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.829 0.347 . . . . 3.15 111.096 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.406 ' O ' ' HE3' ' B' ' 75' ' ' LYS . 39.8 m -98.6 -115.18 0.15 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.267 -0.424 . . . . 2.02 111.126 -176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -126.02 -147.66 0.37 Allowed 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 110.023 -0.362 . . . . 2.64 110.023 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.403 ' CD1' HD11 ' B' ' 25' ' ' LEU . 70.2 m-85 68.05 32.25 5.09 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.604 0.716 . . . . 1.7 109.676 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' B' ' 72' ' ' SER . 92.0 mttt -92.36 154.38 18.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.978 -1.01 . . . . 2.85 110.396 -178.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 77.39 -66.13 2.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.215 -0.516 . . . . 2.43 112.507 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -82.61 136.58 34.77 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.971 -0.381 . . . . 3.28 109.971 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -90.98 -179.41 5.46 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.574 -0.528 . . . . 1.95 109.574 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.489 ' O ' HD13 ' B' ' 83' ' ' LEU . 40.7 tp -56.35 -53.28 59.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.77 0.319 . . . . 0.6 110.862 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.36 -31.4 72.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.42 -0.354 . . . . 0.63 111.484 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.24 -45.69 87.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.445 0.641 . . . . 2.3 109.668 175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 86' ' ' ALA . 45.8 mt -58.47 -50.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.796 -1.093 . . . . 0.61 111.124 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.489 HD13 ' O ' ' B' ' 79' ' ' LEU . 10.7 mp -60.13 -38.48 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.015 -0.538 . . . . 0.83 111.068 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 16' ' ' SER . 8.8 t30 -69.64 -37.58 76.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.272 -0.422 . . . . 1.83 110.839 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 30.7 t -69.47 -28.33 65.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.2 -0.454 . . . . 1.5 110.515 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.465 ' HB3' HG23 ' A' ' 82' ' ' ILE . . . -98.78 23.26 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 1.7 110.983 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 40.8 t -55.7 142.75 33.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 3.09 111.107 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -126.16 146.49 49.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.175 -0.466 . . . . 5.55 110.531 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p -85.52 118.33 70.46 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.319 -0.4 . . . . 3.58 109.972 174.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.75 97.76 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.83 2.354 . . . . 3.95 112.211 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.39 88.83 7.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 5.08 110.064 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.534 -0.746 . . . . 4.13 110.774 -179.811 . . . . . . . . 0 0 . 1 stop_ save_