data_1wjz_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 1wjz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HE3' ' CH2' ' A' ' 18' ' ' TRP . 20.5 ttpp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.732 0.301 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.93 109.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CH2' ' HE3' ' A' ' 16' ' ' LYS . 47.5 m95 -93.2 -37.06 12.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -60.77 -13.37 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.84 -40.38 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.07 -36.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 71' ' ' ALA . 75.8 mt -87.09 -19.44 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.86 34.94 20.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.84 -176.62 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.84 152.67 43.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.37 6.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -122.9 22.07 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.13 161.47 13.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -100.48 158.39 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 14.5 mmm -39.37 -65.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' MET . 48.5 t -35.05 -41.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.91 -56.39 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.09 -56.23 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -46.09 -53.77 9.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -45.33 -44.76 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -69.16 -37.01 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HD12 ' A' ' 41' ' ' ILE . 56.1 t80 -64.74 -55.21 21.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.51 -54.22 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -58.74 -18.77 34.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -105.09 21.12 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 37' ' ' TYR . 8.7 mm -113.47 -22.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.13 -6.34 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.37 -23.1 28.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -125.67 7.53 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.6 t-80 -57.52 139.52 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.595 0.712 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.83 -43.76 2.42 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.83 -28.24 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -93.93 47.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.11 179.45 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -124.24 134.19 53.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.32 56.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.92 31.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 50' ' ' SER . 30.7 m -108.14 141.4 23.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.11 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.89 -33.43 51.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.83 49.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -52.31 -48.99 65.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.64 -66.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -46.36 -46.17 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.58 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -49.38 68.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -55.35 -57.53 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -41.69 -42.07 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -73.25 -59.93 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -44.22 -42.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.87 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.84 -41.87 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -64.18 -39.72 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.1 -18.36 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -91.88 -45.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 22' ' ' LEU . . . -53.11 -19.58 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 46.8 t-105 -95.66 -31.02 13.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.35 -18.27 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 74' ' ' ILE . 4.5 mp -111.13 -35.24 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.487 ' O ' ' CE ' ' A' ' 30' ' ' MET . 57.4 mt -95.66 8.57 43.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -93.76 -40.5 4.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -84.04 -177.51 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 8.6 tm-20 -99.32 -30.89 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -77.79 -56.46 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 p -57.49 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -53.08 -27.71 21.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -84.02 -54.32 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -34.56 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -60.11 -58.98 6.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.54 -51.04 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -59.05 -43.56 91.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.43 -58.27 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.9 ptm85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.752 0.311 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -68.71 102.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -72.59 -44.18 62.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.7 m-85 -56.9 -13.34 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -95.52 -32.21 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.57 -36.28 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 15.3 mt -95.5 8.53 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.39 38.92 58.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 176.9 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.68 154.86 41.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -110.03 18.19 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.13 173.35 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -111.23 167.59 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.32 -65.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -41.86 -61.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.75 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.3 mt -40.53 -47.22 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -58.53 -48.98 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -51.86 -38.39 55.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.65 -34.52 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE2' HG13 ' A' ' 41' ' ' ILE . 26.9 t80 -68.99 -57.57 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -48.44 -49.97 33.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.03 -21.59 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 96.5 mt -101.84 19.36 18.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 37' ' ' TYR . 10.4 mm -110.9 -26.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.2 -5.92 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -85.11 -23.35 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 49.7 m-85 -122.54 4.49 9.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.2 t-80 -60.31 139.94 91.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.77 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.09 -41.63 85.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 56.4 mmtt -60.49 -19.56 57.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -52.07 162.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.6 m -143.51 154.3 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.2 -19.67 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.77 -57.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 m -61.89 140.56 95.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.63 0.729 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -166.88 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.5 -42.26 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.85 -58.16 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.6 m -44.51 -42.31 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 tpt -45.83 -53.11 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.41 -46.74 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.93 -45.98 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.97 -44.55 41.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.5 tpt -57.33 -60.66 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -41.45 -54.84 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -59.01 -67.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 79.5 t80 -37.42 -41.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -49.58 82.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 33.6 mt -59.39 -48.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.89 -21.37 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -85.18 -44.7 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -25.52 38.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.546 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 60.0 t-105 -82.37 -36.83 26.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -48.57 -41.27 30.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -91.43 -61.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.06 -51.99 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.546 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.7 -32.49 1.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -87.83 178.63 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -108.35 -35.97 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.71 -55.95 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 p -67.2 -28.62 68.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -73.64 -35.53 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -73.12 -32.52 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.49 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.545 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 3.0 t80 -53.71 -52.8 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -50.4 -42.78 54.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.19 -40.21 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -59.09 -42.46 90.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HD2' ' CE1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tttm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.47 132.08 46.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 42.3 m95 -109.66 -33.5 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 36.7 m-85 -63.29 -14.21 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.17 -38.95 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.75 -36.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.36 12.75 28.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.59 46.66 37.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.445 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.84 -174.99 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.18 156.55 42.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.73 -1.76 9.0 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 -0.45 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.57 166.41 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' MET . 5.8 m120 -107.4 150.71 26.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' ASN . 5.0 mmt -36.37 -63.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -38.32 -55.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -67.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 24' ' ' ALA . 43.0 mt -36.24 -50.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -58.12 -46.8 84.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 58.0 mt-30 -53.71 -46.6 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.38 -36.92 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.8 t80 -62.63 -54.28 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.07 -57.11 8.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -21.63 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.5 mt -101.15 24.25 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 37' ' ' TYR . 6.7 mm -114.66 -38.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -75.26 -39.74 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.18 -44.72 68.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -104.36 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -106.14 140.12 20.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.361 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.99 -34.18 73.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 16.4 mmtp -83.12 37.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -99.55 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.2 t -165.24 144.31 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.08 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' SER . 39.0 t0 -48.26 -59.07 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.12 140.11 97.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.48 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.294 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.97 -30.64 17.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.39 -38.67 80.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -38.03 86.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.6 tpt -51.98 -43.99 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.37 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -68.39 -33.57 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.44 -42.23 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -54.26 -58.94 5.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.91 -56.87 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -57.68 10.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -45.75 -49.94 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.39 -38.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.82 -46.92 56.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.0 mt -57.62 -42.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.36 -16.26 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.94 -46.47 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -50.51 -30.71 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 42.4 t-105 -79.71 -36.53 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.34 -19.67 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -113.34 -40.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 52.9 mt -97.79 31.41 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -120.2 -23.61 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -109.94 167.19 10.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -81.53 -34.61 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -56.54 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -57.17 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -43.97 -42.97 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -58.83 -50.64 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.09 -56.5 21.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -49.47 -59.34 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.07 -34.11 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.44 -41.68 24.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.01 -54.26 47.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.7 ptm85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.786 0.326 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.81 95.37 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.6 -44.97 76.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CZ ' HD21 ' A' ' 75' ' ' LEU . 20.2 m-85 -56.05 -14.72 2.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.23 -38.85 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.77 -40.23 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 21.4 mt -89.15 3.9 50.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.5 41.53 93.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.3 -176.99 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.87 156.75 49.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.79 -4.39 13.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 m -104.49 -8.07 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 176.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -125.47 157.61 36.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.8 mtp -38.42 -56.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -46.08 -49.39 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -64.37 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LYS . 14.7 mt -41.7 -64.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 26.2 tttt -35.53 -50.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.41 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LEU . 2.2 mptp? -65.7 -42.02 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 68' ' ' ILE . 11.5 t80 -61.36 -54.23 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.87 -56.89 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -57.3 -17.59 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.3 mt -103.99 22.0 15.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 mm -113.23 -36.63 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -37.88 56.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.88 -47.74 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 12.2 m-85 -103.88 41.53 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.0 t-80 -95.83 139.93 22.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.4 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -93.74 47.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -163.78 141.09 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.0 -51.12 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -64.87 136.27 96.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.47 -39.43 97.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.9 m -67.42 -47.2 70.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 ttm -50.41 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -39.58 -55.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.78 -43.51 90.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.88 -37.26 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -60.27 -56.12 25.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.19 -50.84 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HE3' ' CE2' ' A' ' 44' ' ' TYR . 13.3 mmmt -57.25 -66.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -39.71 -54.29 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.43 -47.78 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.78 98.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.554 HG23 ' CE1' ' A' ' 37' ' ' TYR . 28.9 mt -59.55 -52.87 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.54 -13.85 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -93.76 -38.59 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -62.6 -15.4 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.406 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 27.4 t-105 -96.99 -14.91 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -79.54 -13.91 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 mp -116.23 -45.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 19' ' ' TYR . 78.4 mt -85.17 -16.47 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.4 27.47 9.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 3.3 m-20 -139.67 -179.39 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -102.04 -39.58 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -75.47 -69.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.8 p -51.99 -44.98 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 19.9 tttt -58.23 -30.51 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -80.04 -30.46 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -77.97 -54.84 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -52.36 -34.59 48.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -50.29 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.48 -36.71 83.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -67.59 -54.29 21.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' CH2' ' A' ' 18' ' ' TRP . 24.4 ttmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -82.94 98.63 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 61.5 m95 -76.34 -36.33 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 23.1 m-85 -61.48 -13.97 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -97.55 -34.54 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.45 -32.91 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 40.0 mt -96.8 10.72 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.01 40.24 35.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.51 179.51 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -110.69 156.19 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.81 -0.21 6.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 m -123.78 15.6 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.6 149.98 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -78.13 175.83 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 77' ' ' ASN . 2.1 tpt -74.32 -39.94 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -8.04 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.88 -47.85 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.5 -44.62 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 15.5 ttpt -55.05 -52.73 62.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -47.18 -46.97 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -47.17 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 41' ' ' ILE . 16.3 t80 -57.46 -53.09 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.49 -59.65 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -55.89 -17.86 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 84.7 mt -102.69 18.53 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 37' ' ' TYR . 7.6 mm -110.94 -24.33 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -4.27 24.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.72 -23.26 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CD2' HD12 ' A' ' 68' ' ' ILE . 72.8 m-85 -121.99 -1.54 9.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -52.2 139.92 34.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.6 Cg_endo -69.73 -42.9 3.03 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.4 -43.53 85.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 29.0 mmtt -56.93 -27.83 61.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HG3' ' CE ' ' A' ' 58' ' ' MET . 74.2 mm-40 -45.77 171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 m -157.34 153.27 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.64 -21.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -54.2 -57.26 11.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.84 138.38 95.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -165.04 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.87 -37.73 16.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.13 -42.8 99.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.7 m -61.85 -38.83 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.402 ' CE ' ' HG3' ' A' ' 49' ' ' GLN . 6.3 tpt -50.81 -45.4 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.71 -54.14 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.2 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.49 -42.65 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.0 tpt -56.18 -70.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -40.32 -46.13 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CB ' ' CD1' ' A' ' 44' ' ' TYR . 33.5 mmtm -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -54.55 -65.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.77 -44.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.81 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 44' ' ' TYR . 18.2 mt -58.8 -45.66 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 13.1 t0 -63.61 -9.18 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.51 -41.3 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -53.67 -18.83 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 34' ' ' LYS . 45.2 t-105 -83.39 -45.08 14.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.416 ' C ' HD12 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -45.73 -23.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.2 mp -107.6 -57.34 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 19' ' ' TYR . 41.2 mt -87.52 26.68 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.526 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -104.09 -6.97 41.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' C ' ' SD ' ' A' ' 30' ' ' MET . 61.2 t30 -135.53 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.54 -45.51 79.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.33 -70.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.3 p -45.68 -46.37 14.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -57.04 -31.91 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -78.64 -53.05 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -56.63 -37.09 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -50.91 -36.31 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.39 -45.42 62.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -54.85 -38.29 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -88.78 126.95 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.521 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 47.6 m95 -97.74 -44.4 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.1 m-85 -56.33 -13.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -97.47 -38.83 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.78 -33.92 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 38.4 mt -94.34 13.39 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 45.19 15.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.8 -179.91 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.98 157.91 37.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 -15.24 37.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.2 m -87.75 -13.7 41.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 174.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.19 -175.06 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -56.16 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 m -51.25 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -47.79 -60.42 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 mt -46.8 -44.1 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -58.49 -46.63 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.64 -44.56 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -68.88 -46.26 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 34.8 t80 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.22 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -53.64 -18.3 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 95.0 mt -102.1 21.74 14.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.93 -27.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.14 -7.22 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -84.64 -22.87 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -124.97 8.8 8.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 18.7 t-80 -61.54 139.71 95.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.78 -43.33 2.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.17 -30.91 71.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -89.17 46.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -119.05 -177.75 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -161.99 138.74 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 53' ' ' VAL . 4.9 p30 -46.08 -39.95 10.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 22.0 m -72.79 138.92 79.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.59 12.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.29 72.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.73 -39.41 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -64.37 -38.75 92.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -57.39 -51.1 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.85 -46.54 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.62 -40.15 84.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.477 ' CG ' HD12 ' A' ' 66' ' ' ILE . 5.5 ttt -62.97 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' MET . 93.4 mm-40 -34.13 -36.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' MET . 3.0 mmpt? -73.16 -54.83 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -47.21 -61.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 62' ' ' MET . 2.4 mp -40.34 -57.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.12 -52.99 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.17 -48.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.76 -20.05 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 34.9 mt-30 -89.51 -56.96 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -42.41 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' GLY . 49.9 t-105 -81.98 -37.48 26.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' GLN . 45.3 mttm -49.44 -33.14 13.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -94.6 -49.67 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -83.24 19.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -96.74 -40.64 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.6 167.0 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -81.61 -28.42 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.4 -59.89 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.452 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 43.9 p -54.76 -41.15 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -61.59 -35.14 77.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -70.84 -48.18 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 37.5 mtmt -56.51 -54.4 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -47.42 -46.23 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.82 -48.34 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 86' ' ' LEU . 4.0 mm? -63.71 -36.33 83.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.15 -57.95 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 1.5 ptm85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.786 0.327 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.51 117.41 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 34.9 m95 -94.68 -36.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 24.2 m-85 -62.62 -13.29 29.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.16 -38.86 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.5 mt -64.15 -38.35 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.94 14.33 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.32 43.17 13.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.14 -176.33 3.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.16 154.63 58.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.75 -2.47 10.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.7 p -105.34 -6.15 19.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.07 -179.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -123.93 172.66 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CE ' ' O ' ' A' ' 76' ' ' GLY . 45.5 tpp -52.28 -44.15 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -57.18 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.81 -65.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.33 -62.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -38.3 -45.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -43.44 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.542 ' CE1' HD12 ' A' ' 41' ' ' ILE . 35.6 t80 -59.67 -53.58 56.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -51.0 -59.23 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -54.47 -21.45 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -100.55 20.73 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.542 HD12 ' CE1' ' A' ' 37' ' ' TYR . 7.2 mm -113.54 -41.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 -9.22 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -81.25 -23.05 38.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -126.94 19.57 7.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 t-80 -71.65 140.11 83.96 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.52 -41.58 84.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -77.45 46.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -111.13 -178.09 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' ALA . 29.6 t -163.13 133.67 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -35.42 -38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -38.22 -51.35 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.24 138.24 97.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -170.43 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -37.74 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.32 -41.22 92.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -65.45 -36.17 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.21 -45.14 94.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.28 -37.15 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -51.62 -46.19 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.5 tpt -54.4 -50.6 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -48.9 -57.03 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' PHE . 22.2 mmmt -52.47 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' LYS . 75.6 t80 -35.2 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.9 mt -53.09 -56.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -43.52 87.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.1 mt -57.05 -41.85 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.81 -15.16 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -94.33 -36.34 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.524 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.01 -19.85 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.524 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 41.6 t-105 -90.73 -30.35 17.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.65 -31.53 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.41 -40.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.31 19.36 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.444 ' O ' ' CE ' ' A' ' 30' ' ' MET . . . -95.11 -53.08 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -87.29 162.19 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.6 -29.85 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.21 -50.89 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -63.48 -41.6 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -68.39 -31.65 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -69.93 -42.85 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -65.02 -57.35 8.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLN . 41.1 t80 -39.49 -60.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.5 t70 -36.44 -49.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 86' ' ' LEU . 4.0 mm? -62.19 -41.97 98.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' TYR . 8.8 mm100 -61.01 -57.88 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -75.19 97.48 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -76.75 -33.31 58.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 26' ' ' PRO . 47.0 m-85 -63.21 -14.41 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -43.04 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.6 mt -56.85 -36.1 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 37.3 mt -94.12 0.05 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.26 41.98 99.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 33' ' ' LEU . . . -120.5 -177.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -108.16 151.21 41.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.8 -2.34 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.5 22.56 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.69 178.07 7.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -111.31 -176.41 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.8 mmt -64.66 -55.62 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 t -47.29 -51.84 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 24' ' ' ALA . 66.5 mt -41.2 -47.83 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -58.11 -55.42 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -43.68 -52.11 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -60.39 -58.74 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 66.1 t80 -41.15 -58.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -50.91 -38.79 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -72.17 -19.89 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 61.1 mt -102.18 10.07 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 HD12 ' CE1' ' A' ' 37' ' ' TYR . 12.1 mm -102.95 -22.13 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -3.99 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -88.2 -23.11 23.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 85.0 m-85 -124.15 3.13 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.3 t-80 -55.13 140.34 62.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.8 Cg_endo -69.77 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -60.56 -41.19 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.54 49.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -123.81 -175.95 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -174.07 153.87 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.61 -25.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -46.72 -49.07 20.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.48 138.05 74.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.37 24.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.48 92.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.47 -34.98 35.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -72.68 -33.21 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.74 -50.58 71.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.5 -53.43 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.5 -39.67 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -49.44 -38.86 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' GLN . 6.4 tpt -62.22 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' MET . 36.6 mm-40 -36.7 -49.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 18.9 mmmt -61.85 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -39.1 -42.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -60.9 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.82 -46.32 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 mt -56.06 -38.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -68.51 -15.39 63.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -94.16 -44.12 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.41 -30.84 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.513 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 27.4 t-105 -82.56 -31.26 29.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.64 -32.69 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.2 -50.63 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 19' ' ' TYR . 31.6 mt -75.79 -53.56 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.513 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.95 -32.12 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.38 -177.11 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.04 -37.17 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -75.61 -51.4 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.1 p -72.98 -22.28 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -77.61 -37.36 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -73.63 -40.58 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -69.73 -42.97 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -46.9 -59.33 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -42.28 -42.28 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.8 mt -70.86 -42.87 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.98 -42.35 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.64 103.65 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 45.0 m95 -76.32 -41.71 47.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 42.8 m-85 -58.71 -14.07 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.0 m -97.45 -36.52 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.4 -38.89 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 24.0 mt -90.21 9.72 27.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.38 42.5 50.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.65 -176.42 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.11 153.06 43.43 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.74 -13.49 34.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -115.46 30.77 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.13 -176.46 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.68 160.11 18.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.04 -54.33 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -54.4 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.27 -57.0 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 mt -53.57 -51.46 62.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -54.39 -44.91 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -52.85 -47.49 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.5 mptp? -67.89 -35.14 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.22 -49.09 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -59.06 -55.01 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' CD ' ' HG ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.32 -12.49 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' HG ' ' CD ' ' A' ' 39' ' ' LYS . 38.7 mt -105.36 11.71 32.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.97 -22.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.51 -7.68 22.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.05 -23.23 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -123.31 4.68 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.6 t-80 -56.23 140.04 72.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.68 -47.56 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.02 -34.21 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -82.89 53.2 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -132.92 178.9 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 t -166.68 153.62 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' ASP . . . -44.59 -34.8 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -36.76 -54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -65.06 140.07 97.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.74 15.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -20.07 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -26.01 57.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.3 m -73.42 -40.84 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 2.9 tpt -54.28 -55.72 25.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -43.32 -63.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -38.94 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' CB ' ' HE2' ' A' ' 58' ' ' MET . 2.3 t -50.74 -41.05 56.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 tpt -68.7 -57.86 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -42.59 -42.55 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -69.46 -66.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -40.63 -46.88 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.2 mt -57.17 -58.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -52.11 -48.4 64.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.79 -44.36 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.46 -9.66 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.75 -49.97 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -48.3 -26.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' GLY . 47.9 t-105 -83.54 -27.14 29.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -64.79 -16.51 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mm -107.82 -39.79 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.6 mt -97.32 7.92 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -78.65 -46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -95.69 151.27 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.14 -35.79 81.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.9 -56.38 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.445 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 40.0 p -58.81 -32.02 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -70.31 -40.37 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -72.43 -27.37 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 38.6 mtmt -76.2 -43.23 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -65.67 -46.59 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.74 -27.58 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.52 -30.27 52.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -73.07 -45.82 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.1 86.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 32.2 m95 -63.87 -39.3 93.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 28.2 m-85 -61.81 -15.27 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.88 -40.61 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.9 mt -62.96 -36.42 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 71' ' ' ALA . 54.6 mt -91.25 3.9 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 40.03 83.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.464 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . . . -120.88 -178.04 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.84 153.25 43.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.1 Cg_endo -69.79 -10.11 27.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -99.45 -6.57 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.76 175.45 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -127.33 174.07 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -47.31 23.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -52.09 -59.92 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.15 -67.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.804 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -39.68 -44.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -54.23 -49.86 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.63 -47.06 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -63.89 -36.2 83.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.499 ' CE1' HD13 ' A' ' 41' ' ' ILE . 35.5 t80 -67.52 -56.49 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -49.57 -55.08 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -58.29 -22.05 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.3 mt -101.53 20.6 15.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.499 HD13 ' CE1' ' A' ' 37' ' ' TYR . 7.7 mm -111.27 -35.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 -6.1 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.03 -22.26 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 64' ' ' LYS . 75.2 m-85 -124.65 2.62 8.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -55.04 140.16 62.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.71 -39.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.406 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.24 -47.31 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 30.3 mmtt -52.91 -30.95 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 162.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' ASP . 10.6 t -153.06 144.98 23.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.9 t0 -50.47 -54.88 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.91 138.95 92.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.05 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.65 -32.14 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.65 -47.9 82.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -56.9 -42.27 79.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' GLU . 28.4 tpp -44.76 -60.24 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' MET . 33.2 tt0 -37.04 -57.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.5 -45.94 92.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.4 m -50.04 -34.83 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.1 tpt -69.2 -70.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' MET . 89.4 mm-40 -36.77 -31.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 44' ' ' TYR . 2.0 mmpt? -69.9 -62.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -44.65 -57.47 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.1 mp -46.97 -55.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.48 -51.83 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.9 mt -53.33 -60.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.11 -26.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -86.73 -54.6 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.6 -25.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' GLY . 25.7 t-105 -80.69 -38.59 28.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' GLN . 43.2 mtpt -48.4 -37.25 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mp -93.26 -50.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' CD1' ' CD1' ' A' ' 19' ' ' TYR . 17.8 mt -85.34 25.83 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -118.63 -36.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' GLU . 44.9 t-20 -104.57 113.18 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ASN . 1.6 mp0 -34.53 -48.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -50.4 -61.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.1 p -59.73 -57.25 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -41.13 -44.66 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -61.1 -59.03 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.31 -43.36 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.76 -59.74 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -44.15 -36.43 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.31 -57.61 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -48.83 -40.99 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.39 130.69 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 68.4 m95 -97.77 -42.65 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.51 ' CZ ' HD23 ' A' ' 75' ' ' LEU . 37.7 m-85 -56.57 -13.22 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.38 -39.99 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.36 -35.23 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.91 7.44 44.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.02 43.52 61.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -177.02 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.54 153.61 42.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.743 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.4 Cg_endo -69.76 -0.78 7.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -125.8 29.97 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.92 171.51 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' MET . 59.9 m-80 -104.11 151.61 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -36.19 -52.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' ASP . 30.0 t -54.67 -68.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.7 m-20 -35.7 -61.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.6 mt -47.01 -55.92 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -51.52 -53.38 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -47.03 -48.38 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -63.07 -54.79 32.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 49.9 t80 -49.34 -59.66 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.53 -38.94 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.8 mt -97.58 16.66 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 37' ' ' TYR . 5.9 mm -108.43 -26.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.49 -32.83 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.67 -44.93 92.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 13.5 m-85 -103.07 31.75 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 24.0 t-80 -84.93 139.4 37.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.73 -41.3 4.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.92 -35.2 80.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -66.71 -30.64 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.15 159.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m -169.34 165.74 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.27 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.2 138.42 97.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.47 3.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.5 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.27 -58.74 11.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' MET . 91.5 m -39.49 -56.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 10.2 tpt -35.75 -56.55 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.99 -43.32 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' THR . 6.0 mm-40 -66.81 -44.25 81.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.97 -54.2 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.9 tpt -42.22 -61.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -46.11 -55.05 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 44' ' ' TYR . 13.4 mmmt -55.97 -62.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 83.7 t80 -42.48 -44.85 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.22 -57.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -46.78 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 37.6 mt -56.22 -50.16 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -17.2 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' LYS . 44.5 mt-30 -90.5 -51.31 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.64 -30.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 48.9 t-105 -76.85 -36.12 57.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' GLN . 28.7 mmmt -49.73 -33.4 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 74' ' ' ILE . 4.0 mp -96.06 -72.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.51 HD23 ' CZ ' ' A' ' 19' ' ' TYR . 73.1 mt -52.59 -37.71 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -56.34 -39.76 83.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -79.47 176.59 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -103.81 -43.23 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.69 -57.37 9.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 83' ' ' LYS . 40.7 p -61.82 -54.08 47.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -37.85 -40.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.2 mtmm -57.02 -46.94 81.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 87' ' ' GLN . 50.0 t80 -53.08 -60.36 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -39.86 -49.82 2.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -63.65 -36.86 85.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 84' ' ' TYR . 10.9 mm100 -65.2 -58.34 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 18' ' ' TRP . 3.6 ttpm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.93 129.74 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 16' ' ' LYS . 60.9 m95 -103.51 -38.74 7.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 34.1 m-85 -62.79 -13.52 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -97.1 -36.99 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.478 HD12 ' CE3' ' A' ' 18' ' ' TRP . 94.9 mt -63.94 -38.42 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.09 3.31 55.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.08 43.78 96.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.94 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -107.58 153.5 41.34 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.75 -0.48 6.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.74 2.294 . . . . 0.0 112.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -123.24 26.71 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.0 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -108.14 158.43 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.9 -51.36 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -55.07 -55.29 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.25 -62.66 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.63 -49.75 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 72' ' ' TRP . 16.9 tttt -51.05 -57.74 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -44.1 -47.61 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -65.03 -47.12 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 75.0 t80 -54.42 -60.21 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.57 -61.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -55.39 -21.68 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -101.38 19.73 17.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 HD12 ' CE1' ' A' ' 37' ' ' TYR . 9.2 mm -110.04 -33.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -8.7 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 mt -80.23 -22.71 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 50.4 m-85 -125.45 13.87 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 9.7 t-80 -75.43 141.16 72.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.3 Cg_endo -69.8 -41.08 4.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.46 -43.01 82.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HZ2' ' CE1' ' A' ' 45' ' ' HIS . 6.9 mptt -75.68 48.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -119.05 -179.63 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -159.94 141.17 12.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.81 -21.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.84 -53.25 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.9 m -62.73 139.97 97.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.55 10.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.84 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.01 -30.23 72.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.1 m -73.01 -52.09 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -40.04 -51.46 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.37 -50.72 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -59.42 -38.65 81.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.31 -51.54 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -48.83 -60.8 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -40.95 -59.47 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 19.1 mmmt -56.11 -68.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 86.2 t80 -35.09 -42.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.69 -51.73 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -59.16 -41.56 88.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 32.1 mt -60.29 -59.95 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -46.59 -22.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -84.07 -55.87 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.71 -34.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 36.1 t-105 -67.85 -42.45 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -45.86 -34.2 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.5 mp -102.63 -57.03 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.7 mt -84.52 33.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.96 -32.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -102.97 152.02 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.18 -22.98 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -84.65 -74.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 p -44.9 -48.01 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -48.17 -45.48 33.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -63.82 -47.39 81.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.52 -55.82 12.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -40.75 -59.69 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.23 -61.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.36 -48.3 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' ARG . 17.3 mm100 -48.12 -57.79 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' GLN . 12.3 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.773 0.321 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.28 102.12 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 70' ' ' GLN . 43.1 m95 -75.39 -31.28 60.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 75' ' ' LEU . 26.7 m-85 -67.66 -14.48 62.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.53 -37.58 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.53 -33.4 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 31.5 mt -97.61 7.86 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.48 40.62 54.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.74 175.89 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.26 155.61 39.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.77 -3.0 11.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -123.79 3.86 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.07 167.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -98.01 151.53 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.4 tpt -43.26 -52.15 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -52.7 -51.18 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.63 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.3 mt -40.36 -63.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -45.6 -58.48 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -43.99 -44.79 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -52.97 23.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 30.9 t80 -49.78 -53.59 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -54.84 -40.55 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -70.19 -15.38 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 45.8 mt -105.45 8.79 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD13 ' CE1' ' A' ' 37' ' ' TYR . 14.9 mm -102.67 -21.16 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -2.87 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.52 -23.33 23.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 88.5 m-85 -123.82 -0.48 8.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 t-80 -50.2 140.17 17.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.27 -46.41 73.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 37.2 mmtt -54.39 -26.06 28.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -45.94 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.6 m -163.97 154.4 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.52 -26.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -48.02 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -65.25 139.98 97.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 -30.23 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.56 -51.62 30.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 m -53.0 -37.36 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.3 mmm -50.86 -53.03 35.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.46 -45.93 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -22.55 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.7 t -66.84 -38.93 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -62.54 -56.05 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -46.45 -57.73 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 19.4 mmmt -53.87 -59.41 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -46.62 -56.28 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.7 mt -46.13 -47.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.73 -41.87 97.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.18 -44.4 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.13 -15.88 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.556 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 68.6 mt-30 -93.53 -36.25 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.33 -9.61 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 44.7 t-105 -97.6 -26.42 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.53 -19.6 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.14 -46.56 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 19' ' ' TYR . 43.0 mt -93.59 26.78 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -27.09 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -105.66 121.46 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -42.98 -35.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.38 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -56.41 -61.75 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -39.03 -35.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -72.17 -50.12 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -59.77 -44.93 93.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' ASP . 19.1 t80 -48.36 -67.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' TYR . 8.2 t0 -35.71 -48.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -64.71 -50.97 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -52.8 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.9 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.65 86.87 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.435 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 11.6 m95 -65.43 -41.48 93.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 21.5 m-85 -60.1 -14.67 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -101.16 -40.9 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.802 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.74 -21.91 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.7 11.58 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.1 42.77 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.78 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.3 156.24 40.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.72 -4.02 13.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -120.71 29.04 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.49 170.76 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.056 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -110.43 152.73 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 mmm -40.55 -49.36 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.7 m -51.79 -51.78 53.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.38 -60.76 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' NZ ' ' A' ' 81' ' ' LYS . 21.8 mt -45.66 -41.28 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' ' CH2' ' A' ' 72' ' ' TRP . 27.5 tttt -65.13 -45.07 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.45 -45.7 84.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.53 -37.41 86.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 4.4 t80 -66.8 -61.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 37.2 mt-30 -52.48 -29.65 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 4.2 tptt -82.24 -25.07 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -95.72 16.19 18.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mm -105.92 -33.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -31.09 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 22.7 mt -67.26 -24.83 65.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 29.4 m-85 -107.03 -27.29 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t-80 -38.11 140.26 0.58 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.8 -43.81 2.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.16 -27.13 64.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.9 mmtt -86.69 45.58 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -125.06 174.02 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -159.13 153.74 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.96 -25.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -49.85 -56.25 11.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.0 m -64.93 138.97 97.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 176.46 6.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -36.32 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.4 -46.69 93.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.2 m -51.49 -36.52 44.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' CYS . 34.5 tpp -65.6 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.31 -42.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -73.84 -40.27 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.2 m -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.65 -62.26 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.95 -37.79 15.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 13.1 mmtp -75.23 -57.79 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -44.99 -41.38 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 65.8 mt -65.93 -44.72 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.73 -39.02 92.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -61.82 -49.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 47.4 t0 -55.89 -18.24 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -93.77 -50.21 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -45.02 -25.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.524 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 39.1 t-105 -90.94 -27.53 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' GLN . 18.6 mtpp -59.28 -46.45 88.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.93 -48.05 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -61.86 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.42 -40.46 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 48.4 t-20 -74.97 121.87 22.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.48 -23.8 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -69.84 -58.97 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -72.42 -46.33 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 12.9 tttp -47.28 -28.71 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -71.06 -48.91 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -67.11 -36.31 81.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.86 -64.29 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.11 -53.79 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.04 -45.29 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.3 mm100 -54.51 -47.85 72.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' GLN . 33.3 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 tttm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 13.5 m-20 -104.14 129.76 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 41.3 m95 -100.55 -37.9 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 34.7 m-85 -60.04 -13.35 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -99.4 -38.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.3 mt -64.33 -37.42 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HG ' ' CB ' ' A' ' 71' ' ' ALA . 32.4 mt -92.23 7.45 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.79 42.97 53.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.28 -175.13 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -111.22 150.81 42.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 -0.17 6.56 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -130.15 25.48 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.28 164.16 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' MET . 54.1 m-20 -89.0 142.69 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 tpp -37.26 -46.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.97 -53.36 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.44 -58.06 7.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.87 -42.49 36.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.93 -44.11 97.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -56.42 -47.84 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -48.06 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HD12 ' A' ' 41' ' ' ILE . 45.8 t80 -52.71 -62.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.92 -45.13 50.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -67.49 -27.47 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -97.01 15.88 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 37' ' ' TYR . 2.8 mm -106.54 -30.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -31.94 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.6 -37.05 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 37.8 m-85 -110.54 33.16 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 10.9 t-80 -94.07 140.35 22.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.82 -45.92 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -67.82 -46.53 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 20.1 mmtm -58.88 -11.54 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -52.25 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -171.51 157.93 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.71 -10.12 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -43.19 78.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.3 m -70.67 139.05 85.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.665 0.745 . . . . 0.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.53 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.82 -2.19 58.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.8 -42.57 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -58.02 -48.3 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.3 tpt -42.18 -62.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -44.35 -41.75 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.88 -40.88 83.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 m -55.21 -16.07 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -80.88 -56.64 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -53.05 -29.99 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -79.98 -56.17 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -47.21 -48.42 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.82 -58.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.01 -50.83 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -53.86 -39.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.93 -10.24 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.66 -40.98 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.446 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -57.19 -17.99 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.55 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 51.6 t-105 -96.3 -38.36 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -47.87 -40.27 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.83 -54.51 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.6 -60.5 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.55 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -39.02 -33.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -75.85 179.4 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.34 -43.03 3.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.01 -59.7 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.0 p -61.47 -29.29 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 11.6 tmtt? -75.44 -36.08 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -72.04 -35.0 69.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -75.53 -51.73 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -52.26 -47.16 65.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -30.59 10.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.67 -38.22 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -53.44 -40.76 65.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 11.1 mtm105 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HE3' ' CZ3' ' A' ' 18' ' ' TRP . 16.6 ttpt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.27 141.49 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 48.3 m95 -113.93 -44.84 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -56.19 -13.79 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -97.21 -35.9 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.08 -38.83 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 23.8 mt -89.21 6.98 37.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.39 43.68 84.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.96 -176.0 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.34 151.27 45.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.546 0.689 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.38 8.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -109.99 0.32 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -177.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' MET . 50.1 t30 -125.06 150.58 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ASN . 37.0 tpp -37.04 -40.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -61.46 -54.91 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.5 t0 -57.06 -67.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ASP . 11.1 mt -34.45 -55.68 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -45.74 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.83 -44.3 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -65.37 -57.21 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 25.7 t80 -50.56 -52.49 38.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -50.08 -60.0 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.955 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -55.34 -20.07 10.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 94.6 mt -96.78 16.57 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 10.1 mm -109.44 -24.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -94.33 -26.23 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.71 -35.69 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -115.38 32.32 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.9 t-80 -85.28 140.16 36.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.77 -45.1 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.81 -45.02 79.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.3 mmtt -55.52 -16.18 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -57.47 166.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -152.96 176.26 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -4.18 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.82 -30.95 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.55 139.51 22.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.65 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 -32.7 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.36 52.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -51.8 -50.6 60.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -40.56 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -45.23 -46.7 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.09 -36.04 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.76 -45.78 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -57.75 -58.94 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -42.3 -41.02 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -72.66 -64.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -40.26 -42.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 93.3 mt -57.35 -53.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.99 -49.22 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.9 mt -57.08 -44.64 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.01 -12.55 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 73' ' ' LYS . 39.8 mt-30 -97.98 -44.9 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -47.68 -28.39 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -82.02 -27.49 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 3.7 mmpt? -56.03 -27.41 53.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -110.57 -30.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.6 mt -98.76 27.36 4.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.82 -45.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -87.17 130.3 34.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.0 -23.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.99 -70.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -48.8 -35.06 13.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -68.54 -34.15 75.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.12 -34.41 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -71.13 -57.5 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -45.74 -52.96 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.69 -44.27 37.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.76 -51.09 64.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.13 -41.09 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HD3' ' CH2' ' A' ' 18' ' ' TRP . 19.3 tttp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -59.87 109.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 70.5 m95 -98.61 -37.09 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 27.2 m-85 -61.86 -13.38 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -98.8 -41.96 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 HD11 ' CE3' ' A' ' 18' ' ' TRP . 61.3 mt -59.61 -34.01 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 56.4 mt -93.93 -17.01 23.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 44.66 12.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.52 171.53 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.81 150.77 41.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.49 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.73 -1.14 7.95 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.751 2.301 . . . . 0.0 112.335 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -126.04 35.31 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.71 171.79 7.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -111.4 177.86 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.4 -57.93 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -44.63 -37.74 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -78.53 -74.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' ASP . 29.5 mt -35.73 -45.73 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.548 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 3.0 ttpm? -57.2 -57.07 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -41.18 -45.97 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -39.13 75.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 49.2 t80 -60.97 -54.92 39.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.16 -58.88 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -56.84 -16.98 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 22' ' ' LEU . 87.2 mt -107.11 21.02 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 37' ' ' TYR . 6.6 mm -111.75 -21.31 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.33 -12.39 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.39 -23.83 46.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 50.9 m-85 -125.0 19.94 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.55 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 t-80 -81.06 140.74 49.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.3 Cg_endo -69.76 -39.74 6.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.06 -33.94 59.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 8.4 mmtp -80.16 44.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -112.02 176.82 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.2 m -168.27 148.14 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -33.91 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.9 m-20 -38.01 -63.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.2 m -68.43 133.38 91.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.648 0.737 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.75 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.74 -40.07 98.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -59.56 -42.11 91.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 tpt -52.76 -43.01 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -52.52 -59.46 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.7 m -48.74 -37.72 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 3.2 tpt -59.98 -71.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' MET . 57.0 mm-40 -35.54 -40.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 44' ' ' TYR . 44.8 mmtm -66.72 -58.29 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -45.68 -58.79 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 3.7 mp -45.57 -54.4 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.8 -51.89 64.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 17.9 mt -55.49 -60.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -46.27 -26.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' LYS . 79.6 mt-30 -82.83 -52.25 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.563 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.29 -35.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 43.0 t-105 -71.52 -37.59 71.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' GLN . 44.5 mtmt -50.9 -36.07 36.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mp -95.83 -48.3 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.13 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -107.35 -42.71 1.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -102.18 155.93 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.02 -46.2 88.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.48 -58.31 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.3 p -58.4 -55.48 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.48 -44.13 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -64.08 -54.95 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -54.55 -53.13 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 88' ' ' ARG . 50.3 t80 -45.13 -61.65 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.9 t70 -36.08 -46.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.85 -45.39 64.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.76 -45.06 74.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 10.4 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 13.7 ttmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.15 88.73 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 37.5 m95 -73.29 -42.99 61.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 22.4 m-85 -56.42 -14.1 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -98.01 -40.07 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.01 -35.32 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 31.4 mt -95.74 18.84 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.31 41.46 2.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -117.01 -178.96 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -106.02 153.22 40.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.561 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.8 -22.04 32.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.5 p -101.42 18.79 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 176.59 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -113.28 178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.08 -46.74 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.62 -59.47 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -47.73 -62.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.55 -50.1 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -50.74 -56.62 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.1 -49.08 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -66.59 -35.2 79.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE2' HG13 ' A' ' 41' ' ' ILE . 48.4 t80 -67.54 -59.99 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -50.69 -40.56 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HE2' ' CD1' ' A' ' 43' ' ' LEU . 12.8 tptm -70.01 -19.87 63.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 89.3 mt -104.72 9.02 35.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 37' ' ' TYR . 11.4 mm -102.27 -20.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 -6.38 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 23.7 mt -84.37 -23.52 30.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 64' ' ' LYS . 50.7 m-85 -124.23 11.61 8.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.1 t-80 -68.96 140.1 91.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.74 -43.31 2.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.633 2.222 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.76 -48.41 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.68 -27.48 40.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -38.72 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.7 m -153.66 149.34 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.91 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' SER . 18.7 t0 -52.06 -61.33 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.04 137.79 97.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.01 -38.44 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.8 99.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.6 m -60.41 -37.08 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.54 -49.89 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -54.53 -48.57 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.96 -50.04 10.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -40.17 -56.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 3.9 mmpt? -59.7 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 67.9 t80 -37.81 -48.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.97 -62.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -47.7 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.5 mt -54.67 -54.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.59 -23.9 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.29 -49.21 8.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.19 -38.4 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 24.5 t-105 -64.72 -44.99 88.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -44.25 -35.87 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.16 -56.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 19' ' ' TYR . 46.2 mt -85.87 34.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -110.88 -43.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.5 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -104.67 156.81 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.07 -42.63 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.85 -47.28 85.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.1 p -69.42 -56.78 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -35.06 47.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -68.29 -51.75 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.28 -46.68 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -45.36 -58.75 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -40.25 -48.6 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 86' ' ' LEU . 3.9 mm? -64.88 -45.45 85.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.51 -48.38 79.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 4.0 ptm85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HG2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.5 141.45 50.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CH2' ' HG2' ' A' ' 16' ' ' LYS . 36.7 m95 -115.17 -43.5 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 40.5 m-85 -57.03 -13.18 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -97.76 -36.77 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.44 -34.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 46.6 mt -93.66 2.06 56.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.04 41.17 97.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -122.84 -178.39 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -112.69 155.11 44.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.623 0.725 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.77 -16.48 37.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 p -99.54 4.64 46.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.34 162.12 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -99.1 165.33 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -47.71 -63.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -39.82 -63.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 8.8 m-20 -47.18 -72.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.1 mt -38.61 -47.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.34 -43.9 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' ASP . 76.8 mt-30 -58.48 -45.86 87.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.56 -40.39 95.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 14.0 t80 -61.77 -51.03 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.63 -57.3 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.39 -19.27 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 98.8 mt -102.19 23.21 11.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 37' ' ' TYR . 6.1 mm -114.37 -37.61 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -35.75 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.09 -46.7 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 31.3 m-85 -105.73 40.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -97.3 140.2 21.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.79 -45.71 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.86 -46.96 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.37 -20.5 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -48.25 172.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 t -163.75 170.83 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.89 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -49.3 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.38 135.38 72.58 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.56 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.64 44.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.5 m -52.07 -42.31 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 tpt -45.49 -49.81 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.68 -47.21 70.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.28 -40.55 96.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -52.16 -48.76 64.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.88 -55.62 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.92 -54.18 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -57.2 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -40.93 -63.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG22 ' NE2' ' A' ' 70' ' ' GLN . 86.8 mt -39.43 -48.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.17 -50.99 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mt -55.81 -56.71 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 17.9 t0 -52.57 -16.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.14 -52.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.18 -37.33 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.593 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 38.5 t-105 -70.79 -32.71 69.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' GLN . 70.0 mmtt -52.07 -40.45 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.5 mp -97.71 -23.93 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 18.9 mt -108.3 28.68 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -122.67 -34.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -100.13 130.56 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.85 -31.19 48.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.38 -44.81 78.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 81' ' ' LYS . 20.4 p -76.62 -63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 80' ' ' THR . 31.5 tttt -36.38 -43.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -62.62 -56.26 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -55.91 -47.17 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD1' ' OE1' ' A' ' 87' ' ' GLN . 51.8 t80 -60.77 -38.48 85.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.51 -17.97 60.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.42 -58.17 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CD1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -47.98 -42.85 28.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 2.3 ptm85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -94.87 99.28 11.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 44.3 m95 -71.55 -35.31 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 30.9 m-85 -64.28 -13.35 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.54 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.7 mt -60.89 -36.2 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 71' ' ' ALA . 16.0 mt -98.81 16.14 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.16 42.56 5.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 170.29 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -98.65 149.31 35.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 -2.23 9.83 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -120.45 10.91 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.14 -175.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' MET . 17.5 m-80 -120.69 154.87 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -35.35 -51.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 t -49.44 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HA ' ' CG ' ' A' ' 35' ' ' GLN . 4.9 m-20 -40.06 -62.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -45.35 -39.82 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -66.31 -61.73 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 32' ' ' ASP . 10.1 pt20 -48.86 -49.19 40.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -57.19 -42.95 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CE1' HD13 ' A' ' 41' ' ' ILE . 18.6 t80 -61.28 -60.22 4.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -46.52 -59.23 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -55.14 -22.53 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -100.62 23.55 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 37' ' ' TYR . 4.8 mm -113.66 -38.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -74.36 -34.51 63.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.9 -43.7 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -105.0 35.16 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.2 t-80 -95.67 139.7 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.73 -38.52 7.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -75.44 -28.34 59.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 24.6 mmtt -87.99 37.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.66 176.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 52' ' ' ASP . 79.3 p -168.08 143.1 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.13 -24.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -53.04 -44.17 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.15 138.35 75.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -167.45 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.18 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.043 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.52 90.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.6 m -46.62 -39.7 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -45.68 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.56 -25.33 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.05 -29.54 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.84 -29.25 69.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -72.34 -55.35 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.07 -38.92 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -72.74 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -42.73 -52.64 4.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG21 ' NE2' ' A' ' 70' ' ' GLN . 35.2 mt -52.0 -56.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.71 -49.41 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.89 -52.06 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.8 -18.38 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.6 -53.57 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.35 -25.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 60.2 t-105 -85.05 -31.59 23.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 70' ' ' GLN . 39.5 mtmt -59.26 -24.55 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.38 -38.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.23 16.4 16.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -106.21 -31.07 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 23.6 t-20 -88.86 158.43 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.42 -36.74 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.81 -64.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 p -51.25 -57.03 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 7.8 tmtt? -47.2 -33.13 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -80.09 -26.75 39.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -78.99 -53.61 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -48.13 -50.96 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -50.7 -44.64 58.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.74 -54.47 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.1 mm100 -46.89 -46.55 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 13.3 mtp-105 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -59.29 104.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.804 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -148.06 119.63 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.92 90.28 0.67 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -156.76 135.27 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -66.79 149.81 50.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.13 -71.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttm -41.96 129.81 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 148.75 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.3 mm? -84.54 74.31 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 11.1 pt-20 36.19 44.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -91.17 -58.04 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -139.2 -179.09 5.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt 57.52 30.09 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -120.75 -40.1 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HE3' ' CH2' ' A' ' 18' ' ' TRP . 20.5 ttpp -78.3 133.76 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.93 109.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CH2' ' HE3' ' A' ' 16' ' ' LYS . 47.5 m95 -93.2 -37.06 12.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -60.77 -13.37 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.84 -40.38 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.07 -36.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 71' ' ' ALA . 75.8 mt -87.09 -19.44 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.86 34.94 20.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.84 -176.62 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.84 152.67 43.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.37 6.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -122.9 22.07 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.13 161.47 13.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -100.48 158.39 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 14.5 mmm -39.37 -65.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' MET . 48.5 t -35.05 -41.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.91 -56.39 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.09 -56.23 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -46.09 -53.77 9.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -45.33 -44.76 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -69.16 -37.01 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HD12 ' A' ' 41' ' ' ILE . 56.1 t80 -64.74 -55.21 21.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.51 -54.22 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -58.74 -18.77 34.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 98.1 mt -105.09 21.12 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 37' ' ' TYR . 8.7 mm -113.47 -22.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.13 -6.34 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.37 -23.1 28.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -125.67 7.53 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.6 t-80 -57.52 139.52 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.595 0.712 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.83 -43.76 2.42 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.83 -28.24 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -93.93 47.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.11 179.45 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -124.24 134.19 53.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.32 56.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.92 31.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 50' ' ' SER . 30.7 m -108.14 141.4 23.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.11 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.89 -33.43 51.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.83 49.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -52.31 -48.99 65.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.64 -66.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -46.36 -46.17 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.58 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -49.38 68.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -55.35 -57.53 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -41.69 -42.07 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -73.25 -59.93 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -44.22 -42.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.87 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.84 -41.87 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.8 mt -64.18 -39.72 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.1 -18.36 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -91.88 -45.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 22' ' ' LEU . . . -53.11 -19.58 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 46.8 t-105 -95.66 -31.02 13.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.35 -18.27 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 74' ' ' ILE . 4.5 mp -111.13 -35.24 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' O ' ' CE ' ' A' ' 30' ' ' MET . 57.4 mt -95.66 8.57 43.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -93.76 -40.5 4.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -84.04 -177.51 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 8.6 tm-20 -99.32 -30.89 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -77.79 -56.46 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 p -57.49 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -53.08 -27.71 21.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -84.02 -54.32 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -34.56 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -60.11 -58.98 6.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.54 -51.04 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -59.05 -43.56 91.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.43 -58.27 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.9 ptm85 -58.35 158.1 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -83.01 157.87 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.84 148.29 19.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 p -77.49 102.75 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -163.9 166.2 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -164.33 136.48 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -110.33 146.7 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.49 152.8 29.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -124.16 145.73 49.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -120.13 170.75 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.57 88.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -154.31 149.48 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 128.1 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.48 48.37 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 59.36 43.7 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -94.88 61.94 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 p -162.93 -176.53 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 87' ' ' GLN . 25.0 mt -38.61 -43.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.7 mmtp -35.94 -63.08 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -57.48 133.05 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -68.71 102.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -72.59 -44.18 62.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.7 m-85 -56.9 -13.34 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -95.52 -32.21 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.9 mt -68.57 -36.28 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 15.3 mt -95.5 8.53 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.39 38.92 58.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 176.9 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.68 154.86 41.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -110.03 18.19 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.13 173.35 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -111.23 167.59 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.32 -65.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -41.86 -61.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.75 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.3 mt -40.53 -47.22 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -58.53 -48.98 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -51.86 -38.39 55.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.65 -34.52 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE2' HG13 ' A' ' 41' ' ' ILE . 26.9 t80 -68.99 -57.57 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -48.44 -49.97 33.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.03 -21.59 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 96.5 mt -101.84 19.36 18.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.537 HG13 ' CE2' ' A' ' 37' ' ' TYR . 10.4 mm -110.9 -26.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.2 -5.92 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -85.11 -23.35 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.467 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 49.7 m-85 -122.54 4.49 9.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.2 t-80 -60.31 139.94 91.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.77 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.09 -41.63 85.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 56.4 mmtt -60.49 -19.56 57.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -52.07 162.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.6 m -143.51 154.3 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.2 -19.67 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.77 -57.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 m -61.89 140.56 95.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.63 0.729 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -166.88 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.5 -42.26 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.85 -58.16 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.6 m -44.51 -42.31 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 tpt -45.83 -53.11 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.41 -46.74 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.93 -45.98 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.97 -44.55 41.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.5 tpt -57.33 -60.66 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -41.45 -54.84 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -59.01 -67.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 64' ' ' LYS . 79.5 t80 -37.42 -41.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -49.58 82.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.408 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 33.6 mt -59.39 -48.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.89 -21.37 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -85.18 -44.7 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -25.52 38.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.546 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 60.0 t-105 -82.37 -36.83 26.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -48.57 -41.27 30.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -91.43 -61.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.06 -51.99 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.546 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.7 -32.49 1.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -87.83 178.63 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -108.35 -35.97 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.71 -55.95 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 p -67.2 -28.62 68.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -73.64 -35.53 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -73.12 -32.52 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.49 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.545 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 3.0 t80 -53.71 -52.8 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -50.4 -42.78 54.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.19 -40.21 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 3.0 mm100 -59.09 -42.46 90.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.545 ' HD2' ' CE1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -79.28 -4.39 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.0 t -128.79 93.28 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -142.06 146.25 17.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.0 25.04 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.9 p -64.48 130.81 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.4 t -125.14 81.94 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -131.68 108.22 9.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t 52.68 42.54 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.03 156.85 42.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m -64.81 90.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -87.49 143.06 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.85 135.41 0.85 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 tpt -101.21 -53.47 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.46 132.3 56.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -119.98 -12.45 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -106.02 47.21 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -123.0 -179.0 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.3 p -126.29 -45.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 mt -103.9 -45.54 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -52.72 -36.0 56.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -74.46 155.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.47 132.08 46.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 42.3 m95 -109.66 -33.5 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.416 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 36.7 m-85 -63.29 -14.21 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.17 -38.95 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.75 -36.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.36 12.75 28.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.59 46.66 37.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.84 -174.99 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.18 156.55 42.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.73 -1.76 9.0 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 -0.45 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.57 166.41 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' MET . 5.8 m120 -107.4 150.71 26.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' ASN . 5.0 mmt -36.37 -63.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -38.32 -55.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -67.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 24' ' ' ALA . 43.0 mt -36.24 -50.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -58.12 -46.8 84.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 58.0 mt-30 -53.71 -46.6 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.38 -36.92 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.8 t80 -62.63 -54.28 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.07 -57.11 8.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -21.63 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.5 mt -101.15 24.25 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 37' ' ' TYR . 6.7 mm -114.66 -38.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -75.26 -39.74 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.18 -44.72 68.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -104.36 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -106.14 140.12 20.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.361 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.99 -34.18 73.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 16.4 mmtp -83.12 37.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -99.55 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.2 t -165.24 144.31 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.08 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' SER . 39.0 t0 -48.26 -59.07 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.12 140.11 97.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.48 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.294 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.97 -30.64 17.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.39 -38.67 80.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -38.03 86.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.6 tpt -51.98 -43.99 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.37 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -68.39 -33.57 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.44 -42.23 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -54.26 -58.94 5.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.91 -56.87 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -57.68 10.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -45.75 -49.94 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.39 -38.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.82 -46.92 56.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.0 mt -57.62 -42.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.36 -16.26 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.94 -46.47 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -50.51 -30.71 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.566 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 42.4 t-105 -79.71 -36.53 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -52.34 -19.67 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -113.34 -40.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 52.9 mt -97.79 31.41 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -120.2 -23.61 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -109.94 167.19 10.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -81.53 -34.61 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -56.54 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -57.17 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -43.97 -42.97 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -58.83 -50.64 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.09 -56.5 21.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -49.47 -59.34 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.07 -34.11 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.44 -41.68 24.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.01 -54.26 47.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.7 ptm85 -51.86 -42.41 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -64.06 114.31 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -128.1 175.64 18.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.32 4.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 t -79.7 142.94 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 t -137.05 121.53 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -157.89 167.78 29.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -111.68 124.55 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.97 18.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -88.42 38.07 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -122.87 159.77 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.56 70.14 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -119.76 114.7 22.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.47 178.81 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -110.86 121.83 46.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 61.42 52.93 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -80.47 8.97 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -94.38 -46.99 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 mt -76.8 -18.06 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -76.83 -36.29 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 121.68 24.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.81 95.37 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.6 -44.97 76.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CZ ' HD21 ' A' ' 75' ' ' LEU . 20.2 m-85 -56.05 -14.72 2.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.23 -38.85 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.77 -40.23 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 21.4 mt -89.15 3.9 50.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.5 41.53 93.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.3 -176.99 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.87 156.75 49.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.79 -4.39 13.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 m -104.49 -8.07 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 176.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -125.47 157.61 36.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.8 mtp -38.42 -56.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -46.08 -49.39 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -64.37 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' LYS . 14.7 mt -41.7 -64.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 26.2 tttt -35.53 -50.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.41 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LEU . 2.2 mptp? -65.7 -42.02 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 68' ' ' ILE . 11.5 t80 -61.36 -54.23 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.87 -56.89 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -57.3 -17.59 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.3 mt -103.99 22.0 15.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 mm -113.23 -36.63 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -37.88 56.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.88 -47.74 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.471 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 12.2 m-85 -103.88 41.53 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.0 t-80 -95.83 139.93 22.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.4 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -93.74 47.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -163.78 141.09 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.0 -51.12 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.6 m -64.87 136.27 96.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 111.09 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.47 -39.43 97.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.9 m -67.42 -47.2 70.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 ttm -50.41 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -39.58 -55.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.78 -43.51 90.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.88 -37.26 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -60.27 -56.12 25.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.19 -50.84 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HE3' ' CE2' ' A' ' 44' ' ' TYR . 13.3 mmmt -57.25 -66.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -39.71 -54.29 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.43 -47.78 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.78 98.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.554 HG23 ' CE1' ' A' ' 37' ' ' TYR . 28.9 mt -59.55 -52.87 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.54 -13.85 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -93.76 -38.59 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -62.6 -15.4 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.406 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 27.4 t-105 -96.99 -14.91 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -79.54 -13.91 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 mp -116.23 -45.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.493 HD21 ' CZ ' ' A' ' 19' ' ' TYR . 78.4 mt -85.17 -16.47 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.4 27.47 9.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 3.3 m-20 -139.67 -179.39 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -102.04 -39.58 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -75.47 -69.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.8 p -51.99 -44.98 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 19.9 tttt -58.23 -30.51 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -80.04 -30.46 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -77.97 -54.84 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -52.36 -34.59 48.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -50.29 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.48 -36.71 83.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -67.59 -54.29 21.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.83 140.94 56.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 p -156.05 177.22 11.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.32 -174.13 50.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 139.4 40.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -96.33 162.1 13.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t -91.73 -58.56 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 m -114.66 115.91 27.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -93.08 170.84 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.53 68.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -134.66 121.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -108.27 174.39 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.41 77.19 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -47.12 141.68 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.05 168.08 20.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.25 -36.19 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -132.16 95.6 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.87 -176.42 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -81.16 -6.55 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -104.64 -55.15 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -45.87 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' CH2' ' A' ' 18' ' ' TRP . 24.4 ttmt -71.11 131.2 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -82.94 98.63 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 61.5 m95 -76.34 -36.33 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 23.1 m-85 -61.48 -13.97 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -97.55 -34.54 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.45 -32.91 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 40.0 mt -96.8 10.72 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.01 40.24 35.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.51 179.51 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -110.69 156.19 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.81 -0.21 6.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 m -123.78 15.6 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.6 149.98 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -78.13 175.83 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 77' ' ' ASN . 2.1 tpt -74.32 -39.94 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -8.04 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.88 -47.85 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.5 -44.62 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 15.5 ttpt -55.05 -52.73 62.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -47.18 -46.97 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -47.17 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' CE1' HD12 ' A' ' 41' ' ' ILE . 16.3 t80 -57.46 -53.09 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.49 -59.65 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -55.89 -17.86 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 84.7 mt -102.69 18.53 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.527 HD12 ' CE1' ' A' ' 37' ' ' TYR . 7.6 mm -110.94 -24.33 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -4.27 24.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.72 -23.26 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CD2' HD12 ' A' ' 68' ' ' ILE . 72.8 m-85 -121.99 -1.54 9.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -52.2 139.92 34.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.6 Cg_endo -69.73 -42.9 3.03 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.4 -43.53 85.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 29.0 mmtt -56.93 -27.83 61.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HG3' ' CE ' ' A' ' 58' ' ' MET . 74.2 mm-40 -45.77 171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 m -157.34 153.27 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.64 -21.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -54.2 -57.26 11.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.84 138.38 95.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -165.04 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.87 -37.73 16.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.13 -42.8 99.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.7 m -61.85 -38.83 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.402 ' CE ' ' HG3' ' A' ' 49' ' ' GLN . 6.3 tpt -50.81 -45.4 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.71 -54.14 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.2 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.49 -42.65 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.0 tpt -56.18 -70.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -40.32 -46.13 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CB ' ' CD1' ' A' ' 44' ' ' TYR . 33.5 mmtm -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -54.55 -65.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mp -41.77 -44.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.81 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 44' ' ' TYR . 18.2 mt -58.8 -45.66 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 13.1 t0 -63.61 -9.18 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.51 -41.3 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -53.67 -18.83 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 34' ' ' LYS . 45.2 t-105 -83.39 -45.08 14.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' C ' HD12 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -45.73 -23.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.2 mp -107.6 -57.34 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 19' ' ' TYR . 41.2 mt -87.52 26.68 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.526 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -104.09 -6.97 41.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' C ' ' SD ' ' A' ' 30' ' ' MET . 61.2 t30 -135.53 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.54 -45.51 79.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.33 -70.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.3 p -45.68 -46.37 14.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -57.04 -31.91 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -78.64 -53.05 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -56.63 -37.09 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -50.91 -36.31 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.39 -45.42 62.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -54.85 -38.29 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -42.97 157.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 m -88.95 -44.05 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.51 155.46 6.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -42.27 3.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.328 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.1 m -71.05 107.65 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -99.44 164.91 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -62.99 160.02 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -148.93 153.27 37.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 -105.06 1.29 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 62.12 27.16 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -59.64 148.9 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.79 -39.84 1.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.32 104.54 10.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.33 161.52 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 tp -81.15 -54.26 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.12 -62.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 53.32 52.21 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -132.92 -50.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' LYS . 52.3 mt -71.16 -54.16 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -38.03 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' LEU . 2.5 ttmp? -83.57 139.64 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -88.78 126.95 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.521 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 47.6 m95 -97.74 -44.4 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.1 m-85 -56.33 -13.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -97.47 -38.83 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.78 -33.92 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 38.4 mt -94.34 13.39 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 45.19 15.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -126.8 -179.91 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.98 157.91 37.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 -15.24 37.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.2 m -87.75 -13.7 41.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 174.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.19 -175.06 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -56.16 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 m -51.25 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -47.79 -60.42 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.1 mt -46.8 -44.1 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -58.49 -46.63 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.64 -44.56 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -68.88 -46.26 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 34.8 t80 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.22 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -53.64 -18.3 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 95.0 mt -102.1 21.74 14.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -114.93 -27.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.14 -7.22 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -84.64 -22.87 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -124.97 8.8 8.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 18.7 t-80 -61.54 139.71 95.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.78 -43.33 2.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.17 -30.91 71.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -89.17 46.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -119.05 -177.75 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 t -161.99 138.74 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 53' ' ' VAL . 4.9 p30 -46.08 -39.95 10.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 22.0 m -72.79 138.92 79.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.59 12.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.29 72.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.73 -39.41 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -64.37 -38.75 92.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -57.39 -51.1 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.85 -46.54 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.62 -40.15 84.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.477 ' CG ' HD12 ' A' ' 66' ' ' ILE . 5.5 ttt -62.97 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' MET . 93.4 mm-40 -34.13 -36.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' MET . 3.0 mmpt? -73.16 -54.83 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -47.21 -61.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 62' ' ' MET . 2.4 mp -40.34 -57.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.12 -52.99 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.3 mt -48.17 -48.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.76 -20.05 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 34.9 mt-30 -89.51 -56.96 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.521 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -42.41 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' GLY . 49.9 t-105 -81.98 -37.48 26.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' GLN . 45.3 mttm -49.44 -33.14 13.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -94.6 -49.67 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -83.24 19.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -96.74 -40.64 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.6 167.0 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -81.61 -28.42 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.4 -59.89 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.452 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 43.9 p -54.76 -41.15 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -61.59 -35.14 77.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -70.84 -48.18 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 37.5 mtmt -56.51 -54.4 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -47.42 -46.23 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.82 -48.34 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 86' ' ' LEU . 4.0 mm? -63.71 -36.33 83.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.15 -57.95 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 1.5 ptm85 -54.42 149.52 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -114.82 172.82 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.43 160.13 9.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -47.05 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 t -169.09 150.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.5 m -72.02 -62.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -72.65 115.58 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.72 54.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 38.03 47.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 55.26 48.56 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.6 -179.27 49.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptm -87.46 164.63 16.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.35 146.0 51.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.54 -46.53 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.26 48.66 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.21 89.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.8 p -140.22 175.29 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 mt 64.69 31.81 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -122.44 -50.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -71.84 138.34 48.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.51 117.41 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 34.9 m95 -94.68 -36.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 24.2 m-85 -62.62 -13.29 29.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.16 -38.86 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.5 mt -64.15 -38.35 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.94 14.33 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.32 43.17 13.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.14 -176.33 3.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.16 154.63 58.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.75 -2.47 10.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.7 p -105.34 -6.15 19.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.07 -179.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -123.93 172.66 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CE ' ' O ' ' A' ' 76' ' ' GLY . 45.5 tpp -52.28 -44.15 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -57.18 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.81 -65.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.33 -62.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -38.3 -45.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -43.44 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.542 ' CE1' HD12 ' A' ' 41' ' ' ILE . 35.6 t80 -59.67 -53.58 56.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -51.0 -59.23 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -54.47 -21.45 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -100.55 20.73 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.542 HD12 ' CE1' ' A' ' 37' ' ' TYR . 7.2 mm -113.54 -41.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.56 -9.22 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -81.25 -23.05 38.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -126.94 19.57 7.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 t-80 -71.65 140.11 83.96 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.52 -41.58 84.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -77.45 46.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -111.13 -178.09 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' ALA . 29.6 t -163.13 133.67 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -35.42 -38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -38.22 -51.35 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.24 138.24 97.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -170.43 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -37.74 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.32 -41.22 92.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -65.45 -36.17 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.21 -45.14 94.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.28 -37.15 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -51.62 -46.19 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.5 tpt -54.4 -50.6 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -48.9 -57.03 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' PHE . 22.2 mmmt -52.47 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' LYS . 75.6 t80 -35.2 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.9 mt -53.09 -56.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -43.52 87.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.1 mt -57.05 -41.85 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.81 -15.16 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -94.33 -36.34 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.524 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.01 -19.85 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.524 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 41.6 t-105 -90.73 -30.35 17.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.65 -31.53 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.41 -40.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.31 19.36 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' O ' ' CE ' ' A' ' 30' ' ' MET . . . -95.11 -53.08 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -87.29 162.19 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.6 -29.85 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.21 -50.89 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -63.48 -41.6 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -68.39 -31.65 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -69.93 -42.85 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -65.02 -57.35 8.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLN . 41.1 t80 -39.49 -60.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.5 t70 -36.44 -49.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 86' ' ' LEU . 4.0 mm? -62.19 -41.97 98.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' TYR . 8.8 mm100 -61.01 -57.88 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.2 137.38 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.5 122.02 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -141.21 -165.82 10.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.91 13.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.299 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 t -48.41 153.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.2 t -115.77 88.66 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -100.22 40.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -105.22 161.86 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 75.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t 64.0 47.08 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -120.02 79.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.0 173.93 13.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -44.34 166.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.43 130.42 43.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.14 -48.22 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -108.85 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.6 45.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -134.95 178.02 7.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt 48.98 41.38 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.93 -49.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -71.84 143.18 49.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -75.19 97.48 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -76.75 -33.31 58.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 26' ' ' PRO . 47.0 m-85 -63.21 -14.41 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -43.04 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 91.6 mt -56.85 -36.1 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 37.3 mt -94.12 0.05 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.26 41.98 99.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 33' ' ' LEU . . . -120.5 -177.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -108.16 151.21 41.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.8 -2.34 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.5 22.56 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.69 178.07 7.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -111.31 -176.41 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.8 mmt -64.66 -55.62 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 t -47.29 -51.84 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 24' ' ' ALA . 66.5 mt -41.2 -47.83 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -58.11 -55.42 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -43.68 -52.11 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -60.39 -58.74 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 66.1 t80 -41.15 -58.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -50.91 -38.79 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -72.17 -19.89 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 61.1 mt -102.18 10.07 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 HD12 ' CE1' ' A' ' 37' ' ' TYR . 12.1 mm -102.95 -22.13 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -3.99 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -88.2 -23.11 23.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 85.0 m-85 -124.15 3.13 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.3 t-80 -55.13 140.34 62.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.8 Cg_endo -69.77 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -60.56 -41.19 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.54 49.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -123.81 -175.95 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 m -174.07 153.87 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.61 -25.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -46.72 -49.07 20.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.48 138.05 74.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.114 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.37 24.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.48 92.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.47 -34.98 35.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -72.68 -33.21 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.74 -50.58 71.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.5 -53.43 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.5 -39.67 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -49.44 -38.86 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' GLN . 6.4 tpt -62.22 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' MET . 36.6 mm-40 -36.7 -49.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 18.9 mmmt -61.85 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -39.1 -42.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -60.9 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.82 -46.32 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 mt -56.06 -38.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -68.51 -15.39 63.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -94.16 -44.12 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.41 -30.84 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.513 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 27.4 t-105 -82.56 -31.26 29.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.64 -32.69 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 mm -91.2 -50.63 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 19' ' ' TYR . 31.6 mt -75.79 -53.56 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.513 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.95 -32.12 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.38 -177.11 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.04 -37.17 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -75.61 -51.4 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.1 p -72.98 -22.28 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -77.61 -37.36 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -73.63 -40.58 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -69.73 -42.97 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -46.9 -59.33 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -42.28 -42.28 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.8 mt -70.86 -42.87 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.98 -42.35 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -73.32 0.93 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -128.92 123.61 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.43 146.17 17.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.74 6.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -111.45 158.72 18.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -51.26 109.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -58.35 124.12 18.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -88.03 129.43 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.97 -154.94 8.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -80.17 140.83 36.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -96.36 -49.11 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.64 -101.17 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mmt 49.32 47.8 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.95 40.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mp 42.97 36.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 53.09 54.95 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -62.44 151.71 36.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.9 t -48.03 -26.98 2.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -86.02 -56.07 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -41.46 -32.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.33 153.74 43.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.64 103.65 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 45.0 m95 -76.32 -41.71 47.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 42.8 m-85 -58.71 -14.07 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.0 m -97.45 -36.52 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.4 -38.89 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 24.0 mt -90.21 9.72 27.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.38 42.5 50.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.65 -176.42 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.11 153.06 43.43 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.74 -13.49 34.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -115.46 30.77 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.13 -176.46 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.68 160.11 18.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.04 -54.33 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -54.4 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.27 -57.0 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 mt -53.57 -51.46 62.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -54.39 -44.91 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -52.85 -47.49 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.5 mptp? -67.89 -35.14 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.22 -49.09 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -59.06 -55.01 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' CD ' ' HG ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.32 -12.49 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' HG ' ' CD ' ' A' ' 39' ' ' LYS . 38.7 mt -105.36 11.71 32.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.97 -22.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.51 -7.68 22.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.05 -23.23 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -123.31 4.68 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.6 t-80 -56.23 140.04 72.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.68 -47.56 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.02 -34.21 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -82.89 53.2 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -132.92 178.9 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 t -166.68 153.62 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' ASP . . . -44.59 -34.8 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -36.76 -54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.3 m -65.06 140.07 97.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 0.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.74 15.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -20.07 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -26.01 57.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.3 m -73.42 -40.84 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 2.9 tpt -54.28 -55.72 25.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -43.32 -63.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -38.94 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' CB ' ' HE2' ' A' ' 58' ' ' MET . 2.3 t -50.74 -41.05 56.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 tpt -68.7 -57.86 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -42.59 -42.55 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -69.46 -66.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -40.63 -46.88 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.2 mt -57.17 -58.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -52.11 -48.4 64.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.3 mt -52.79 -44.36 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.46 -9.66 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.75 -49.97 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -48.3 -26.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' GLY . 47.9 t-105 -83.54 -27.14 29.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -64.79 -16.51 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mm -107.82 -39.79 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 39.6 mt -97.32 7.92 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -78.65 -46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -95.69 151.27 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.14 -35.79 81.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.9 -56.38 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.445 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 40.0 p -58.81 -32.02 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -70.31 -40.37 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -72.43 -27.37 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 38.6 mtmt -76.2 -43.23 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -65.67 -46.59 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.74 -27.58 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.52 -30.27 52.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -73.07 -45.82 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -41.8 130.72 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 m -60.75 -48.44 81.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.81 166.86 14.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 98.26 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -155.05 166.42 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -77.19 106.06 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -72.95 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -76.72 170.29 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.81 87.98 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -155.71 118.09 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 m -51.4 -55.14 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.67 94.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.51 113.25 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.43 167.15 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -76.46 -22.35 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.83 -40.45 97.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' THR . 2.6 mp0 -70.71 -64.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' GLN . 24.6 p -35.37 -52.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.8 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -38.35 -40.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -59.51 103.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.1 86.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 32.2 m95 -63.87 -39.3 93.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CD1' ' CD1' ' A' ' 75' ' ' LEU . 28.2 m-85 -61.81 -15.27 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.88 -40.61 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.9 mt -62.96 -36.42 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 71' ' ' ALA . 54.6 mt -91.25 3.9 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 40.03 83.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.464 ' CB ' ' HE3' ' A' ' 36' ' ' LYS . . . -120.88 -178.04 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.84 153.25 43.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.1 Cg_endo -69.79 -10.11 27.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -99.45 -6.57 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.76 175.45 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -127.33 174.07 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -47.31 23.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -52.09 -59.92 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.15 -67.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.804 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -39.68 -44.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -54.23 -49.86 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.63 -47.06 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -63.89 -36.2 83.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.499 ' CE1' HD13 ' A' ' 41' ' ' ILE . 35.5 t80 -67.52 -56.49 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -49.57 -55.08 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -58.29 -22.05 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.3 mt -101.53 20.6 15.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 HD13 ' CE1' ' A' ' 37' ' ' TYR . 7.7 mm -111.27 -35.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.07 -6.1 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.03 -22.26 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 64' ' ' LYS . 75.2 m-85 -124.65 2.62 8.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -55.04 140.16 62.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.71 -39.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.406 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.24 -47.31 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 30.3 mmtt -52.91 -30.95 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 162.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' ASP . 10.6 t -153.06 144.98 23.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.9 t0 -50.47 -54.88 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.91 138.95 92.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.05 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.65 -32.14 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.65 -47.9 82.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -56.9 -42.27 79.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' GLU . 28.4 tpp -44.76 -60.24 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' MET . 33.2 tt0 -37.04 -57.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.5 -45.94 92.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.4 m -50.04 -34.83 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.1 tpt -69.2 -70.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' MET . 89.4 mm-40 -36.77 -31.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 44' ' ' TYR . 2.0 mmpt? -69.9 -62.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -44.65 -57.47 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.1 mp -46.97 -55.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.48 -51.83 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.9 mt -53.33 -60.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.11 -26.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -86.73 -54.6 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.558 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.6 -25.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' GLY . 25.7 t-105 -80.69 -38.59 28.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' GLN . 43.2 mtpt -48.4 -37.25 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mp -93.26 -50.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' CD1' ' CD1' ' A' ' 19' ' ' TYR . 17.8 mt -85.34 25.83 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -118.63 -36.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' GLU . 44.9 t-20 -104.57 113.18 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ASN . 1.6 mp0 -34.53 -48.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -50.4 -61.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.1 p -59.73 -57.25 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -41.13 -44.66 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -61.1 -59.03 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.31 -43.36 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.76 -59.74 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -44.15 -36.43 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.31 -57.61 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -48.83 -40.99 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -37.55 -58.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.4 m -75.19 152.96 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.32 -170.38 29.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 127.52 14.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -77.77 83.61 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -149.5 177.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -110.97 86.49 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -122.49 150.06 43.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.77 92.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -142.97 112.67 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 p -80.92 42.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.29 -85.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtt 63.05 50.44 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.47 116.13 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.98 -37.74 58.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.72 109.56 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -148.02 172.8 13.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 p -127.71 -57.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 87' ' ' GLN . 14.9 mt -82.03 -59.07 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.12 -43.4 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -66.92 91.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.39 130.69 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 68.4 m95 -97.77 -42.65 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.51 ' CZ ' HD23 ' A' ' 75' ' ' LEU . 37.7 m-85 -56.57 -13.22 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.38 -39.99 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.36 -35.23 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.91 7.44 44.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.02 43.52 61.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -177.02 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.54 153.61 42.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.743 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.4 Cg_endo -69.76 -0.78 7.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -125.8 29.97 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.92 171.51 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' MET . 59.9 m-80 -104.11 151.61 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -36.19 -52.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' ASP . 30.0 t -54.67 -68.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.7 m-20 -35.7 -61.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.6 mt -47.01 -55.92 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -51.52 -53.38 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -47.03 -48.38 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -63.07 -54.79 32.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 49.9 t80 -49.34 -59.66 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.53 -38.94 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.8 mt -97.58 16.66 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 37' ' ' TYR . 5.9 mm -108.43 -26.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.49 -32.83 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.67 -44.93 92.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 13.5 m-85 -103.07 31.75 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 24.0 t-80 -84.93 139.4 37.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.73 -41.3 4.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.92 -35.2 80.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -66.71 -30.64 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.15 159.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m -169.34 165.74 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.27 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.2 138.42 97.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.47 3.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.5 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.27 -58.74 11.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' MET . 91.5 m -39.49 -56.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 10.2 tpt -35.75 -56.55 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.99 -43.32 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' THR . 6.0 mm-40 -66.81 -44.25 81.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.97 -54.2 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.9 tpt -42.22 -61.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -46.11 -55.05 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 44' ' ' TYR . 13.4 mmmt -55.97 -62.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 83.7 t80 -42.48 -44.85 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.22 -57.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -46.78 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.401 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 37.6 mt -56.22 -50.16 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -17.2 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 73' ' ' LYS . 44.5 mt-30 -90.5 -51.31 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.553 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.64 -30.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 48.9 t-105 -76.85 -36.12 57.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' GLN . 28.7 mmmt -49.73 -33.4 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 74' ' ' ILE . 4.0 mp -96.06 -72.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.51 HD23 ' CZ ' ' A' ' 19' ' ' TYR . 73.1 mt -52.59 -37.71 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -56.34 -39.76 83.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -79.47 176.59 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -103.81 -43.23 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.69 -57.37 9.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 83' ' ' LYS . 40.7 p -61.82 -54.08 47.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -37.85 -40.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.2 mtmm -57.02 -46.94 81.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 87' ' ' GLN . 50.0 t80 -53.08 -60.36 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -39.86 -49.82 2.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -63.65 -36.86 85.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.459 ' NE2' HD11 ' A' ' 14' ' ' LEU . 10.9 mm100 -65.2 -58.34 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -51.97 127.16 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -81.29 -8.98 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.49 156.15 10.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 140.34 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 p 42.55 41.48 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 71.22 43.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -73.55 118.33 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.16 67.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -117.61 135.67 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -172.45 155.36 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.67 -113.03 3.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttt -50.69 142.75 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.56 160.88 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.58 -48.19 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 13' ' ' THR . 39.8 mt-30 -40.9 -57.52 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' GLN . 42.6 p -34.61 -66.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mt -56.41 -50.95 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -43.15 -37.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HE2' ' CH2' ' A' ' 18' ' ' TRP . 3.6 ttpm? -75.93 115.46 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.93 129.74 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CH2' ' HE2' ' A' ' 16' ' ' LYS . 60.9 m95 -103.51 -38.74 7.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 34.1 m-85 -62.79 -13.52 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -97.1 -36.99 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.478 HD12 ' CE3' ' A' ' 18' ' ' TRP . 94.9 mt -63.94 -38.42 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 mt -92.09 3.31 55.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.08 43.78 96.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.94 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -107.58 153.5 41.34 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.75 -0.48 6.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.74 2.294 . . . . 0.0 112.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -123.24 26.71 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.0 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -108.14 158.43 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.9 -51.36 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -55.07 -55.29 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.25 -62.66 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.63 -49.75 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 72' ' ' TRP . 16.9 tttt -51.05 -57.74 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -44.1 -47.61 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -65.03 -47.12 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 75.0 t80 -54.42 -60.21 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.57 -61.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -55.39 -21.68 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -101.38 19.73 17.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 HD12 ' CE1' ' A' ' 37' ' ' TYR . 9.2 mm -110.04 -33.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.56 -8.7 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.7 mt -80.23 -22.71 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 50.4 m-85 -125.45 13.87 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.543 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 9.7 t-80 -75.43 141.16 72.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.3 Cg_endo -69.8 -41.08 4.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.46 -43.01 82.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' HZ2' ' CE1' ' A' ' 45' ' ' HIS . 6.9 mptt -75.68 48.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -119.05 -179.63 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.0 m -159.94 141.17 12.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.81 -21.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.84 -53.25 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.9 m -62.73 139.97 97.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.155 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.55 10.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.84 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.01 -30.23 72.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.1 m -73.01 -52.09 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -40.04 -51.46 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.37 -50.72 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -59.42 -38.65 81.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.31 -51.54 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -48.83 -60.8 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -40.95 -59.47 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 19.1 mmmt -56.11 -68.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HB2' ' CB ' ' A' ' 44' ' ' TYR . 86.2 t80 -35.09 -42.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.69 -51.73 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -59.16 -41.56 88.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.505 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 32.1 mt -60.29 -59.95 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -46.59 -22.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.468 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -84.07 -55.87 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.71 -34.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 36.1 t-105 -67.85 -42.45 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -45.86 -34.2 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.5 mp -102.63 -57.03 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.7 mt -84.52 33.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.96 -32.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -102.97 152.02 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.18 -22.98 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -84.65 -74.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 p -44.9 -48.01 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -48.17 -45.48 33.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -63.82 -47.39 81.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.52 -55.82 12.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -40.75 -59.69 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.23 -61.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.36 -48.3 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' ARG . 17.3 mm100 -48.12 -57.79 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' GLN . 12.3 mtm105 -34.51 130.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -130.76 118.81 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -123.57 -158.17 10.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.682 2.254 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -169.75 105.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.8 p -41.98 130.73 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -70.71 91.27 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -162.93 142.88 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -75.27 74.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 64.9 p -36.81 132.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -78.49 114.74 17.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -161.28 107.73 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 21.8 mtm 34.84 47.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.02 148.08 46.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 11' ' ' GLU . 1.2 pt? -75.72 -24.5 56.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 1.3 pp20? -132.63 123.06 25.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -120.06 44.96 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.2 p -98.53 -46.34 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.54 -50.49 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -44.58 -45.42 9.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -63.3 145.79 54.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.28 102.12 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 70' ' ' GLN . 43.1 m95 -75.39 -31.28 60.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 75' ' ' LEU . 26.7 m-85 -67.66 -14.48 62.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.53 -37.58 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -66.53 -33.4 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 31.5 mt -97.61 7.86 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.48 40.62 54.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -118.74 175.89 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.26 155.61 39.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.77 -3.0 11.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -123.79 3.86 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.07 167.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -98.01 151.53 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.4 tpt -43.26 -52.15 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -52.7 -51.18 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.63 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.3 mt -40.36 -63.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -45.6 -58.48 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -43.99 -44.79 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -52.97 23.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 30.9 t80 -49.78 -53.59 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -54.84 -40.55 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -70.19 -15.38 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 45.8 mt -105.45 8.79 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD13 ' CE1' ' A' ' 37' ' ' TYR . 14.9 mm -102.67 -21.16 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -2.87 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -88.52 -23.33 23.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 88.5 m-85 -123.82 -0.48 8.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 t-80 -50.2 140.17 17.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.27 -46.41 73.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 37.2 mmtt -54.39 -26.06 28.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -45.94 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.6 m -163.97 154.4 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.52 -26.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -48.02 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -65.25 139.98 97.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 -30.23 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.56 -51.62 30.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 m -53.0 -37.36 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.3 mmm -50.86 -53.03 35.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.46 -45.93 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -22.55 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.7 t -66.84 -38.93 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -62.54 -56.05 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -46.45 -57.73 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 19.4 mmmt -53.87 -59.41 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -46.62 -56.28 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.7 mt -46.13 -47.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.73 -41.87 97.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.9 mt -60.18 -44.4 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.13 -15.88 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.556 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 68.6 mt-30 -93.53 -36.25 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.33 -9.61 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.569 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 44.7 t-105 -97.6 -26.42 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.53 -19.6 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.14 -46.56 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 19' ' ' TYR . 43.0 mt -93.59 26.78 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -27.09 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -105.66 121.46 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -42.98 -35.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.38 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -56.41 -61.75 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -39.03 -35.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -72.17 -50.12 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -59.77 -44.93 93.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' ASP . 19.1 t80 -48.36 -67.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' TYR . 8.2 t0 -35.71 -48.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -64.71 -50.97 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -52.8 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.9 mtp-105 -39.28 123.06 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.8 m -110.0 -58.91 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.38 178.16 30.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.68 63.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.4 m -133.2 143.37 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t -162.5 147.93 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -164.35 175.14 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -173.9 122.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 84.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -109.66 136.9 48.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -108.66 94.37 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.69 112.9 3.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 ptp -117.75 134.67 54.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.88 169.47 10.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 pp -122.73 -19.72 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -128.96 75.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -128.02 163.24 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.7 p -123.69 -25.5 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.96 -48.78 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -41.95 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -51.66 157.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.65 86.87 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.435 ' CD2' ' HA ' ' A' ' 71' ' ' ALA . 11.6 m95 -65.43 -41.48 93.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 21.5 m-85 -60.1 -14.67 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -101.16 -40.9 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.802 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mt -65.74 -21.91 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 mt -107.7 11.58 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.1 42.77 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.78 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.3 156.24 40.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.72 -4.02 13.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -120.71 29.04 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.49 170.76 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.056 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -110.43 152.73 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 mmm -40.55 -49.36 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.7 m -51.79 -51.78 53.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.38 -60.76 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD1' ' NZ ' ' A' ' 81' ' ' LYS . 21.8 mt -45.66 -41.28 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' ' CH2' ' A' ' 72' ' ' TRP . 27.5 tttt -65.13 -45.07 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.45 -45.7 84.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.53 -37.41 86.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.524 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 4.4 t80 -66.8 -61.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 37.2 mt-30 -52.48 -29.65 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 4.2 tptt -82.24 -25.07 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 67.4 mt -95.72 16.19 18.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mm -105.92 -33.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -31.09 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 22.7 mt -67.26 -24.83 65.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 29.4 m-85 -107.03 -27.29 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t-80 -38.11 140.26 0.58 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.8 -43.81 2.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.16 -27.13 64.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.9 mmtt -86.69 45.58 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -125.06 174.02 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.2 t -159.13 153.74 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.96 -25.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -49.85 -56.25 11.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.0 m -64.93 138.97 97.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 176.46 6.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -36.32 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.4 -46.69 93.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.2 m -51.49 -36.52 44.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' CYS . 34.5 tpp -65.6 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.31 -42.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -73.84 -40.27 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.2 m -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.65 -62.26 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.95 -37.79 15.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 13.1 mmtp -75.23 -57.79 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -44.99 -41.38 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 65.8 mt -65.93 -44.72 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.73 -39.02 92.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.2 mt -61.82 -49.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 47.4 t0 -55.89 -18.24 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -93.77 -50.21 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -45.02 -25.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.524 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 39.1 t-105 -90.94 -27.53 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' GLN . 18.6 mtpp -59.28 -46.45 88.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.93 -48.05 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -61.86 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.42 -40.46 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 48.4 t-20 -74.97 121.87 22.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.48 -23.8 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -69.84 -58.97 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -72.42 -46.33 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 12.9 tttp -47.28 -28.71 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -71.06 -48.91 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -67.11 -36.31 81.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.86 -64.29 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.11 -53.79 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.04 -45.29 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.3 mm100 -54.51 -47.85 72.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' GLN . 33.3 mtp85 -35.26 -55.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' GLY . 94.2 p -74.12 101.46 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' SER . . . -34.42 144.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.78 51.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.6 m -143.31 113.16 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.5 t -105.93 95.45 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -112.16 117.93 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -71.87 -56.12 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.86 176.91 14.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -73.35 161.32 30.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -166.77 154.17 9.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.34 -143.2 3.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpt -164.83 128.57 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.76 159.51 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -109.75 -40.16 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -154.74 118.24 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -136.29 161.4 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 14' ' ' LEU . 2.8 t -73.61 -32.63 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' N ' HG23 ' A' ' 13' ' ' THR . 15.3 mt -88.05 -47.05 8.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -55.36 -28.18 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -82.7 153.53 25.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 13.5 m-20 -104.14 129.76 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 41.3 m95 -100.55 -37.9 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 34.7 m-85 -60.04 -13.35 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -99.4 -38.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.3 mt -64.33 -37.42 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HG ' ' CB ' ' A' ' 71' ' ' ALA . 32.4 mt -92.23 7.45 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.79 42.97 53.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.28 -175.13 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -111.22 150.81 42.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 -0.17 6.56 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -130.15 25.48 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.28 164.16 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' MET . 54.1 m-20 -89.0 142.69 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 tpp -37.26 -46.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.97 -53.36 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.44 -58.06 7.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.87 -42.49 36.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.93 -44.11 97.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -56.42 -47.84 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -48.06 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HD12 ' A' ' 41' ' ' ILE . 45.8 t80 -52.71 -62.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.92 -45.13 50.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -67.49 -27.47 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -97.01 15.88 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 37' ' ' TYR . 2.8 mm -106.54 -30.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -31.94 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.6 -37.05 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 37.8 m-85 -110.54 33.16 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 10.9 t-80 -94.07 140.35 22.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.82 -45.92 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -67.82 -46.53 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 20.1 mmtm -58.88 -11.54 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -52.25 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -171.51 157.93 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.71 -10.12 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -43.19 78.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.3 m -70.67 139.05 85.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.665 0.745 . . . . 0.0 111.077 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.53 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.82 -2.19 58.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.8 -42.57 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -58.02 -48.3 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.3 tpt -42.18 -62.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -44.35 -41.75 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.88 -40.88 83.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 m -55.21 -16.07 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -80.88 -56.64 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -53.05 -29.99 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -79.98 -56.17 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -47.21 -48.42 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.82 -58.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.01 -50.83 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -53.86 -39.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.93 -10.24 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.66 -40.98 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.446 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -57.19 -17.99 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.55 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 51.6 t-105 -96.3 -38.36 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -47.87 -40.27 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.83 -54.51 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.0 mt -61.6 -60.5 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.55 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -39.02 -33.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -75.85 179.4 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.34 -43.03 3.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.01 -59.7 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.0 p -61.47 -29.29 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 11.6 tmtt? -75.44 -36.08 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -72.04 -35.0 69.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -75.53 -51.73 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -52.26 -47.16 65.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -30.59 10.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.67 -38.22 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -53.44 -40.76 65.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 11.1 mtm105 -46.45 103.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.2 p -104.17 143.23 33.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.98 156.82 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.9 10.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -46.22 128.97 10.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -38.63 -62.83 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.435 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -42.82 138.27 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -88.21 81.63 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.51 -133.46 2.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -127.92 90.19 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -46.96 131.54 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . -171.81 179.25 43.62 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.4 ptp 37.58 28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -81.05 163.89 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.22 -42.37 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -121.57 49.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -51.33 -29.9 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.47 -47.27 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -42.21 -48.58 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HE3' ' CZ3' ' A' ' 18' ' ' TRP . 16.6 ttpt -71.93 142.85 49.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.27 141.49 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.496 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 48.3 m95 -113.93 -44.84 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -56.19 -13.79 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -97.21 -35.9 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.08 -38.83 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 23.8 mt -89.21 6.98 37.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.39 43.68 84.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.96 -176.0 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.34 151.27 45.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.546 0.689 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.38 8.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -109.99 0.32 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -177.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' MET . 50.1 t30 -125.06 150.58 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ASN . 37.0 tpp -37.04 -40.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -61.46 -54.91 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.5 t0 -57.06 -67.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ASP . 11.1 mt -34.45 -55.68 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -45.74 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.83 -44.3 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -65.37 -57.21 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 25.7 t80 -50.56 -52.49 38.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -50.08 -60.0 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.955 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -55.34 -20.07 10.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 94.6 mt -96.78 16.57 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 10.1 mm -109.44 -24.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -94.33 -26.23 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.71 -35.69 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -115.38 32.32 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.9 t-80 -85.28 140.16 36.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.77 -45.1 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.81 -45.02 79.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.3 mmtt -55.52 -16.18 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -57.47 166.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -152.96 176.26 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -4.18 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.82 -30.95 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.55 139.51 22.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.65 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 -32.7 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.36 52.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -51.8 -50.6 60.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -40.56 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -45.23 -46.7 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.09 -36.04 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.76 -45.78 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -57.75 -58.94 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -42.3 -41.02 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -72.66 -64.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -40.26 -42.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 93.3 mt -57.35 -53.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.99 -49.22 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.9 mt -57.08 -44.64 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.01 -12.55 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 73' ' ' LYS . 39.8 mt-30 -97.98 -44.9 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.496 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -47.68 -28.39 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -82.02 -27.49 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 3.7 mmpt? -56.03 -27.41 53.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -110.57 -30.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.6 mt -98.76 27.36 4.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.82 -45.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -87.17 130.3 34.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.0 -23.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.99 -70.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -48.8 -35.06 13.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -68.54 -34.15 75.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.12 -34.41 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -71.13 -57.5 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -45.74 -52.96 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.69 -44.27 37.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.76 -51.09 64.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.13 -41.09 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -41.11 128.08 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 m -89.97 45.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 105.14 -158.18 16.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.31 59.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -69.12 160.64 30.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -77.72 163.23 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -155.23 108.65 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -120.78 119.87 33.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.82 -103.01 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -47.44 165.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -75.67 -49.62 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.03 62.43 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 tpt -43.18 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 154.72 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.59 -53.06 59.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 2.4 pm0 -166.66 156.8 11.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -156.02 -179.7 8.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -113.14 -42.76 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.25 171.3 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.1 36.36 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HD3' ' CH2' ' A' ' 18' ' ' TRP . 19.3 tttp -147.63 120.22 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -59.87 109.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 70.5 m95 -98.61 -37.09 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 27.2 m-85 -61.86 -13.38 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -98.8 -41.96 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 HD11 ' CE3' ' A' ' 18' ' ' TRP . 61.3 mt -59.61 -34.01 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 56.4 mt -93.93 -17.01 23.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 44.66 12.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -125.52 171.53 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.81 150.77 41.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.49 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.73 -1.14 7.95 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.751 2.301 . . . . 0.0 112.335 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -126.04 35.31 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.71 171.79 7.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -111.4 177.86 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.4 -57.93 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -44.63 -37.74 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -78.53 -74.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' ASP . 29.5 mt -35.73 -45.73 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.548 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 3.0 ttpm? -57.2 -57.07 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -41.18 -45.97 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -39.13 75.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 72' ' ' TRP . 49.2 t80 -60.97 -54.92 39.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.16 -58.88 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -56.84 -16.98 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 22' ' ' LEU . 87.2 mt -107.11 21.02 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 37' ' ' TYR . 6.6 mm -111.75 -21.31 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.33 -12.39 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -78.39 -23.83 46.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 50.9 m-85 -125.0 19.94 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.55 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 t-80 -81.06 140.74 49.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.3 Cg_endo -69.76 -39.74 6.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.06 -33.94 59.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 8.4 mmtp -80.16 44.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -112.02 176.82 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.2 m -168.27 148.14 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -33.91 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.9 m-20 -38.01 -63.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.2 m -68.43 133.38 91.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.648 0.737 . . . . 0.0 111.174 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.75 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.74 -40.07 98.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -59.56 -42.11 91.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 tpt -52.76 -43.01 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -52.52 -59.46 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.7 m -48.74 -37.72 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 3.2 tpt -59.98 -71.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' MET . 57.0 mm-40 -35.54 -40.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 44' ' ' TYR . 44.8 mmtm -66.72 -58.29 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -45.68 -58.79 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 62' ' ' MET . 3.7 mp -45.57 -54.4 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.8 -51.89 64.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 17.9 mt -55.49 -60.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -46.27 -26.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' LYS . 79.6 mt-30 -82.83 -52.25 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.563 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.29 -35.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 43.0 t-105 -71.52 -37.59 71.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' GLN . 44.5 mtmt -50.9 -36.07 36.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.8 mp -95.83 -48.3 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.13 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -107.35 -42.71 1.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -102.18 155.93 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.02 -46.2 88.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.48 -58.31 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.3 p -58.4 -55.48 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.48 -44.13 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -64.08 -54.95 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -54.55 -53.13 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 88' ' ' ARG . 50.3 t80 -45.13 -61.65 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.9 t70 -36.08 -46.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.85 -45.39 64.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.76 -45.06 74.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 10.4 mtm105 -40.16 -57.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -96.96 91.76 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.13 163.41 5.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.21 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 t 72.5 43.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.2 t -65.09 -53.05 51.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 m 49.3 46.89 22.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -118.21 130.49 56.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.97 -97.28 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -81.61 127.99 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -140.87 124.29 16.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.32 141.83 3.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -22.19 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.43 149.5 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.0 mp -90.18 74.29 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 39.64 28.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 10' ' ' LEU . 25.9 tp60 -75.5 61.45 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.2 p -135.07 168.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt 61.75 45.1 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -131.68 -47.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 13.7 ttmt -64.65 153.3 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.15 88.73 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.554 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 37.5 m95 -73.29 -42.99 61.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 22.4 m-85 -56.42 -14.1 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -98.01 -40.07 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.01 -35.32 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 31.4 mt -95.74 18.84 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.31 41.46 2.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -117.01 -178.96 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -106.02 153.22 40.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.561 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.8 -22.04 32.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.5 p -101.42 18.79 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 176.59 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -113.28 178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.08 -46.74 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.62 -59.47 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -47.73 -62.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.0 mt -46.55 -50.1 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -50.74 -56.62 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.1 -49.08 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 0.7 OUTLIER -66.59 -35.2 79.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' CE2' HG13 ' A' ' 41' ' ' ILE . 48.4 t80 -67.54 -59.99 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -50.69 -40.56 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HE2' ' CD1' ' A' ' 43' ' ' LEU . 12.8 tptm -70.01 -19.87 63.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 89.3 mt -104.72 9.02 35.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 37' ' ' TYR . 11.4 mm -102.27 -20.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 -6.38 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 23.7 mt -84.37 -23.52 30.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 64' ' ' LYS . 50.7 m-85 -124.23 11.61 8.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.1 t-80 -68.96 140.1 91.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.74 -43.31 2.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.633 2.222 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.76 -48.41 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.68 -27.48 40.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -38.72 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.7 m -153.66 149.34 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.91 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' SER . 18.7 t0 -52.06 -61.33 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.04 137.79 97.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.01 -38.44 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.8 99.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.6 m -60.41 -37.08 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.54 -49.89 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -54.53 -48.57 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.96 -50.04 10.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -40.17 -56.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 3.9 mmpt? -59.7 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LYS . 67.9 t80 -37.81 -48.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.97 -62.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -47.7 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.5 mt -54.67 -54.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.59 -23.9 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.29 -49.21 8.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.19 -38.4 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 24.5 t-105 -64.72 -44.99 88.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -44.25 -35.87 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.16 -56.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 19' ' ' TYR . 46.2 mt -85.87 34.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -110.88 -43.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.5 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -104.67 156.81 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.07 -42.63 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.85 -47.28 85.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.1 p -69.42 -56.78 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -35.06 47.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -68.29 -51.75 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.28 -46.68 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -45.36 -58.75 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -40.25 -48.6 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 86' ' ' LEU . 3.9 mm? -64.88 -45.45 85.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.51 -48.38 79.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' SER . 4.0 ptm85 -68.52 -179.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' ARG . 60.6 p 34.5 45.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.33 146.18 8.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.94 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 t -76.79 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t 52.03 25.94 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 m -64.85 150.13 48.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -107.13 172.13 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.9 67.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -90.98 98.78 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -145.63 127.67 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.53 67.55 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -67.85 121.25 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.16 172.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -34.0 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.11 -22.84 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -84.53 86.47 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.8 p -118.06 -31.97 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD22 ' NE2' ' A' ' 87' ' ' GLN . 82.0 mt -91.6 -58.23 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -46.63 -39.53 11.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HG2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -69.48 122.75 19.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.5 141.45 50.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CH2' ' HG2' ' A' ' 16' ' ' LYS . 36.7 m95 -115.17 -43.5 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 40.5 m-85 -57.03 -13.18 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -97.76 -36.77 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.44 -34.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 46.6 mt -93.66 2.06 56.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.04 41.17 97.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -122.84 -178.39 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -112.69 155.11 44.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.623 0.725 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.77 -16.48 37.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 p -99.54 4.64 46.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.34 162.12 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -99.1 165.33 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -47.71 -63.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -39.82 -63.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 8.8 m-20 -47.18 -72.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.1 mt -38.61 -47.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.34 -43.9 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' ASP . 76.8 mt-30 -58.48 -45.86 87.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.56 -40.39 95.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 14.0 t80 -61.77 -51.03 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.63 -57.3 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.39 -19.27 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 98.8 mt -102.19 23.21 11.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 37' ' ' TYR . 6.1 mm -114.37 -37.61 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -35.75 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.09 -46.7 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 31.3 m-85 -105.73 40.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -97.3 140.2 21.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.79 -45.71 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.86 -46.96 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.37 -20.5 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -48.25 172.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 t -163.75 170.83 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.89 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -49.3 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.38 135.38 72.58 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.56 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.64 44.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.5 m -52.07 -42.31 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 tpt -45.49 -49.81 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.68 -47.21 70.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.28 -40.55 96.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -52.16 -48.76 64.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.88 -55.62 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.92 -54.18 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -57.2 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -40.93 -63.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG22 ' NE2' ' A' ' 70' ' ' GLN . 86.8 mt -39.43 -48.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.17 -50.99 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mt -55.81 -56.71 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 17.9 t0 -52.57 -16.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.14 -52.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.18 -37.33 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.593 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 38.5 t-105 -70.79 -32.71 69.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' GLN . 70.0 mmtt -52.07 -40.45 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 1.5 mp -97.71 -23.93 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 18.9 mt -108.3 28.68 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -122.67 -34.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -100.13 130.56 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.85 -31.19 48.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.38 -44.81 78.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 81' ' ' LYS . 20.4 p -76.62 -63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 80' ' ' THR . 31.5 tttt -36.38 -43.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -62.62 -56.26 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -55.91 -47.17 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD1' ' OE1' ' A' ' 87' ' ' GLN . 51.8 t80 -60.77 -38.48 85.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.51 -17.97 60.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.42 -58.17 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CD1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -47.98 -42.85 28.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 2.3 ptm85 -56.93 -177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.9 m -125.13 -59.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.48 -162.39 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.01 11.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 m -68.57 74.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.2 t -167.32 106.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -134.07 175.38 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -83.28 163.57 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.77 -166.55 17.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -74.47 161.26 29.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -151.39 138.85 19.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.03 -145.7 15.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.83 145.6 29.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.17 106.11 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -39.25 -40.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' C ' ' A' ' 10' ' ' LEU . 8.7 mp0 -133.21 129.35 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -49.92 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.6 p -38.74 -44.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' LYS . 40.9 mt -81.53 -47.17 13.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LEU . 8.5 ttmm -36.39 -58.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -58.91 140.42 55.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -94.87 99.28 11.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.52 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 44.3 m95 -71.55 -35.31 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 30.9 m-85 -64.28 -13.35 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.54 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.7 mt -60.89 -36.2 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 71' ' ' ALA . 16.0 mt -98.81 16.14 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.16 42.56 5.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 170.29 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -98.65 149.31 35.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 -2.23 9.83 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -120.45 10.91 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.14 -175.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' MET . 17.5 m-80 -120.69 154.87 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -35.35 -51.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 t -49.44 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HA ' ' CG ' ' A' ' 35' ' ' GLN . 4.9 m-20 -40.06 -62.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -45.35 -39.82 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -66.31 -61.73 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 32' ' ' ASP . 10.1 pt20 -48.86 -49.19 40.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -57.19 -42.95 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CE1' HD13 ' A' ' 41' ' ' ILE . 18.6 t80 -61.28 -60.22 4.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -46.52 -59.23 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -55.14 -22.53 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -100.62 23.55 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 37' ' ' TYR . 4.8 mm -113.66 -38.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -74.36 -34.51 63.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.9 -43.7 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -105.0 35.16 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.2 t-80 -95.67 139.7 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.73 -38.52 7.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -75.44 -28.34 59.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 24.6 mmtt -87.99 37.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.66 176.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 52' ' ' ASP . 79.3 p -168.08 143.1 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.13 -24.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -53.04 -44.17 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -74.15 138.35 75.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -167.45 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.18 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.043 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.52 90.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.6 m -46.62 -39.7 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -45.68 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.56 -25.33 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.05 -29.54 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.84 -29.25 69.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -72.34 -55.35 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.07 -38.92 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -72.74 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -42.73 -52.64 4.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG21 ' NE2' ' A' ' 70' ' ' GLN . 35.2 mt -52.0 -56.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.71 -49.41 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.3 mt -53.89 -52.06 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.8 -18.38 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.6 -53.57 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.35 -25.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 60.2 t-105 -85.05 -31.59 23.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 70' ' ' GLN . 39.5 mtmt -59.26 -24.55 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.38 -38.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.23 16.4 16.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -106.21 -31.07 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 23.6 t-20 -88.86 158.43 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.42 -36.74 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.81 -64.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 p -51.25 -57.03 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 7.8 tmtt? -47.2 -33.13 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -80.09 -26.75 39.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -78.99 -53.61 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -48.13 -50.96 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -50.7 -44.64 58.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.74 -54.47 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.1 mm100 -46.89 -46.55 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 13.3 mtp-105 -36.2 150.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.2 p -77.98 160.13 28.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.34 158.12 9.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.55 30.86 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -149.19 167.14 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -69.96 -54.87 11.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HE3' ' CH2' ' A' ' 18' ' ' TRP . 20.5 ttpp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.732 0.301 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.93 109.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.573 ' CH2' ' HE3' ' A' ' 16' ' ' LYS . 47.5 m95 -93.2 -37.06 12.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -60.77 -13.37 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.84 -40.38 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.07 -36.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 75' ' ' LEU . 75.8 mt -87.09 -19.44 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.86 34.94 20.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.84 -176.62 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.84 152.67 43.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.37 6.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -122.9 22.07 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.13 161.47 13.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -100.48 158.39 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 14.5 mmm -39.37 -65.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' MET . 48.5 t -35.05 -41.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.91 -56.39 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 75' ' ' LEU . 15.9 mt -51.09 -56.23 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -46.09 -53.77 9.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -45.33 -44.76 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -69.16 -37.01 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 56.1 t80 -64.74 -55.21 21.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.51 -54.22 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -58.74 -18.77 34.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.1 mt -105.09 21.12 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 8.7 mm -113.47 -22.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.13 -6.34 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.37 -23.1 28.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -125.67 7.53 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.6 t-80 -57.52 139.52 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.595 0.712 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.83 -43.76 2.42 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.83 -28.24 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -93.93 47.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 58' ' ' MET . 61.6 mm-40 -113.11 179.45 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -124.24 134.19 53.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.32 56.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.92 31.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 50' ' ' SER . 30.7 m -108.14 141.4 23.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.11 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.89 -33.43 51.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.83 49.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -52.31 -48.99 65.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' A' ' 49' ' ' GLN . 2.3 mmt -53.64 -66.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -46.36 -46.17 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.58 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -49.38 68.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -55.35 -57.53 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -41.69 -42.07 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -73.25 -59.93 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HA ' HD12 ' A' ' 68' ' ' ILE . 70.6 t80 -44.22 -42.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.87 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.84 -41.87 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 40' ' ' LEU . 12.8 mt -64.18 -39.72 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.1 -18.36 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -91.88 -45.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.454 ' CB ' ' HG ' ' A' ' 22' ' ' LEU . . . -53.11 -19.58 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 46.8 t-105 -95.66 -31.02 13.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.35 -18.27 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 mp -111.13 -35.24 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 33' ' ' LEU . 57.4 mt -95.66 8.57 43.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -93.76 -40.5 4.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -84.04 -177.51 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 8.6 tm-20 -99.32 -30.89 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -77.79 -56.46 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 p -57.49 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -53.08 -27.71 21.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -84.02 -54.32 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -34.56 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -60.11 -58.98 6.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.54 -51.04 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.0 mm? -59.05 -43.56 91.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.43 -58.27 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.9 ptm85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 21' ' ' ILE . 13.3 ttmt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.752 0.311 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -68.71 102.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CE3' HD12 ' A' ' 21' ' ' ILE . 27.0 m95 -72.59 -44.18 62.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.7 m-85 -56.9 -13.34 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -95.52 -32.21 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.748 HD12 ' CE3' ' A' ' 18' ' ' TRP . 79.9 mt -68.57 -36.28 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 75' ' ' LEU . 15.3 mt -95.5 8.53 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.39 38.92 58.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 176.9 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.68 154.86 41.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -110.03 18.19 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.13 173.35 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -111.23 167.59 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.32 -65.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -41.86 -61.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.75 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.3 mt -40.53 -47.22 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -58.53 -48.98 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -51.86 -38.39 55.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.65 -34.52 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.721 ' CE1' HD11 ' A' ' 41' ' ' ILE . 26.9 t80 -68.99 -57.57 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -48.44 -49.97 33.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.03 -21.59 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 68' ' ' ILE . 96.5 mt -101.84 19.36 18.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 37' ' ' TYR . 10.4 mm -110.9 -26.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.2 -5.92 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 43' ' ' LEU . 20.7 mt -85.11 -23.35 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 49.7 m-85 -122.54 4.49 9.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.2 t-80 -60.31 139.94 91.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.77 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.09 -41.63 85.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 56.4 mmtt -60.49 -19.56 57.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -52.07 162.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 53' ' ' VAL . 75.6 m -143.51 154.3 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.2 -19.67 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.77 -57.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' SER . 3.4 m -61.89 140.56 95.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.63 0.729 . . . . 0.0 111.092 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -166.88 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.5 -42.26 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.85 -58.16 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.6 m -44.51 -42.31 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 tpt -45.83 -53.11 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.41 -46.74 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.93 -45.98 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.97 -44.55 41.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.5 tpt -57.33 -60.66 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -41.45 -54.84 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -59.01 -67.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 68' ' ' ILE . 79.5 t80 -37.42 -41.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -49.58 82.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 40' ' ' LEU . 33.6 mt -59.39 -48.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.89 -21.37 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -85.18 -44.7 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -25.52 38.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.561 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 60.0 t-105 -82.37 -36.83 26.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -48.57 -41.27 30.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -91.43 -61.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 22' ' ' LEU . 74.0 mt -61.06 -51.99 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.7 -32.49 1.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 79' ' ' GLU . 11.6 t-20 -87.83 178.63 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -108.35 -35.97 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG2' ' ND2' ' A' ' 77' ' ' ASN . 6.7 pt-20 -71.71 -55.95 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 p -67.2 -28.62 68.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -73.64 -35.53 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -73.12 -32.52 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.49 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 3.0 t80 -53.71 -52.8 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -50.4 -42.78 54.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.19 -40.21 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -59.09 -42.46 90.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' A' ' 21' ' ' ILE . 23.6 tttm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.47 132.08 46.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 42.3 m95 -109.66 -33.5 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 36.7 m-85 -63.29 -14.21 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.17 -38.95 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.557 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 67.2 mt -61.75 -36.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 75' ' ' LEU . 15.9 mt -95.36 12.75 28.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.59 46.66 37.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.84 -174.99 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.18 156.55 42.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.73 -1.76 9.0 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 -0.45 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.57 166.41 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' MET . 5.8 m120 -107.4 150.71 26.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' ASN . 5.0 mmt -36.37 -63.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -38.32 -55.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -67.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 24' ' ' ALA . 43.0 mt -36.24 -50.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -58.12 -46.8 84.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 32.8 mt-30 -53.71 -46.6 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.38 -36.92 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.8 t80 -62.63 -54.28 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.07 -57.11 8.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -21.63 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.787 ' O ' HD13 ' A' ' 68' ' ' ILE . 92.5 mt -101.15 24.25 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' TYR . 6.7 mm -114.66 -38.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.808 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -75.26 -39.74 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.18 -44.72 68.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -104.36 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -106.14 140.12 20.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.361 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.99 -34.18 73.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.808 ' NZ ' HD22 ' A' ' 42' ' ' LEU . 16.4 mmtp -83.12 37.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.638 ' OE1' HG21 ' A' ' 53' ' ' VAL . 70.8 mm-40 -99.55 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.506 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.2 t -165.24 144.31 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.08 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' SER . 39.0 t0 -48.26 -59.07 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.638 HG21 ' OE1' ' A' ' 49' ' ' GLN . 27.1 m -64.12 140.11 97.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.48 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.294 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.97 -30.64 17.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.39 -38.67 80.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -38.03 86.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.6 tpt -51.98 -43.99 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.37 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -68.39 -33.57 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.44 -42.23 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -54.26 -58.94 5.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.91 -56.87 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -57.68 10.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -45.75 -49.94 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.39 -38.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.82 -46.92 56.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.0 mt -57.62 -42.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.36 -16.26 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.94 -46.47 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -50.51 -30.71 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 42.4 t-105 -79.71 -36.53 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 74' ' ' ILE . 22.7 mtpp -52.34 -19.67 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.9 mp -113.34 -40.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 52.9 mt -97.79 31.41 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -120.2 -23.61 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -109.94 167.19 10.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -81.53 -34.61 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -56.54 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -57.17 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -43.97 -42.97 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -58.83 -50.64 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.09 -56.5 21.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -49.47 -59.34 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.07 -34.11 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.44 -41.68 24.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.01 -54.26 47.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.7 ptm85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' HD11 ' A' ' 21' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.786 0.326 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.81 95.37 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 21' ' ' ILE . 41.8 m95 -67.6 -44.97 76.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.2 m-85 -56.05 -14.72 2.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.23 -38.85 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.622 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.7 mt -61.77 -40.23 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 71' ' ' ALA . 21.4 mt -89.15 3.9 50.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.5 41.53 93.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.3 -176.99 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.87 156.75 49.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.79 -4.39 13.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 m -104.49 -8.07 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 176.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -125.47 157.61 36.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.8 mtp -38.42 -56.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -46.08 -49.39 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -64.37 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 24' ' ' ALA . 14.7 mt -41.7 -64.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 26.2 tttt -35.53 -50.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.41 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LEU . 2.2 mptp? -65.7 -42.02 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 68' ' ' ILE . 11.5 t80 -61.36 -54.23 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.87 -56.89 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -57.3 -17.59 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.881 ' O ' HD13 ' A' ' 68' ' ' ILE . 81.3 mt -103.99 22.0 15.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.9 mm -113.23 -36.63 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.41 -37.88 56.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.88 -47.74 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 12.2 m-85 -103.88 41.53 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.0 t-80 -95.83 139.93 22.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.4 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -93.74 47.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.5 m -163.78 141.09 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.0 -51.12 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 50' ' ' SER . 13.6 m -64.87 136.27 96.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.47 -39.43 97.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.9 m -67.42 -47.2 70.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 ttm -50.41 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -39.58 -55.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.78 -43.51 90.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.88 -37.26 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -60.27 -56.12 25.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.19 -50.84 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE3' ' CE2' ' A' ' 44' ' ' TYR . 13.3 mmmt -57.25 -66.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -39.71 -54.29 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.43 -47.78 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.78 98.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.9 mt -59.55 -52.87 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.54 -13.85 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -93.76 -38.59 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -62.6 -15.4 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 27.4 t-105 -96.99 -14.91 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.61 ' C ' HD12 ' A' ' 74' ' ' ILE . 45.3 mtpt -79.54 -13.91 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 73' ' ' LYS . 2.1 mp -116.23 -45.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -85.17 -16.47 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.4 27.47 9.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 3.3 m-20 -139.67 -179.39 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -102.04 -39.58 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -75.47 -69.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.8 p -51.99 -44.98 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 19.9 tttt -58.23 -30.51 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -80.04 -30.46 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -77.97 -54.84 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -52.36 -34.59 48.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -50.29 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.48 -36.71 83.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -67.59 -54.29 21.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HD2' ' CH2' ' A' ' 18' ' ' TRP . 24.4 ttmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -82.94 98.63 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 16' ' ' LYS . 61.5 m95 -76.34 -36.33 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.603 ' CD1' HD13 ' A' ' 75' ' ' LEU . 23.1 m-85 -61.48 -13.97 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -97.55 -34.54 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.45 -32.91 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 40.0 mt -96.8 10.72 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.01 40.24 35.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.51 179.51 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -110.69 156.19 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.81 -0.21 6.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 m -123.78 15.6 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.6 149.98 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -78.13 175.83 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 77' ' ' ASN . 2.1 tpt -74.32 -39.94 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -8.04 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.88 -47.85 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.5 -44.62 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 15.5 ttpt -55.05 -52.73 62.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -47.18 -46.97 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -47.17 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.3 t80 -57.46 -53.09 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.49 -59.65 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -55.89 -17.86 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.834 ' O ' HD13 ' A' ' 68' ' ' ILE . 84.7 mt -102.69 18.53 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.6 mm -110.94 -24.33 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -4.27 24.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.72 -23.26 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 68' ' ' ILE . 72.8 m-85 -121.99 -1.54 9.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -52.2 139.92 34.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.6 Cg_endo -69.73 -42.9 3.03 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.4 -43.53 85.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 29.0 mmtt -56.93 -27.83 61.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 58' ' ' MET . 74.2 mm-40 -45.77 171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 m -157.34 153.27 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.64 -21.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -54.2 -57.26 11.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.84 138.38 95.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -165.04 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.87 -37.73 16.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.13 -42.8 99.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.7 m -61.85 -38.83 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.406 ' CE ' ' HG3' ' A' ' 49' ' ' GLN . 6.3 tpt -50.81 -45.4 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.71 -54.14 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.2 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.49 -42.65 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.0 tpt -56.18 -70.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -40.32 -46.13 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CB ' ' CD1' ' A' ' 44' ' ' TYR . 33.5 mmtm -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 68' ' ' ILE . 68.4 t80 -54.55 -65.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.0 mp -41.77 -44.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.81 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.834 HD13 ' O ' ' A' ' 40' ' ' LEU . 18.2 mt -58.8 -45.66 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 13.1 t0 -63.61 -9.18 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' OE1' HG22 ' A' ' 66' ' ' ILE . 48.8 mt-30 -101.51 -41.3 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -53.67 -18.83 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.552 ' CH2' ' HG3' ' A' ' 34' ' ' LYS . 45.2 t-105 -83.39 -45.08 14.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -45.73 -23.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 mp -107.6 -57.34 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 19' ' ' TYR . 41.2 mt -87.52 26.68 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.54 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -104.09 -6.97 41.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' C ' ' SD ' ' A' ' 30' ' ' MET . 61.2 t30 -135.53 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.54 -45.51 79.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.33 -70.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.3 p -45.68 -46.37 14.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -57.04 -31.91 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -78.64 -53.05 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 86' ' ' LEU . 9.5 ptpt -56.63 -37.09 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -50.91 -36.31 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 83' ' ' LYS . 7.9 mt -71.39 -45.42 62.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -54.85 -38.29 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -88.78 126.95 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 47.6 m95 -97.74 -44.4 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.1 m-85 -56.33 -13.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -97.47 -38.83 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 18' ' ' TRP . 92.8 mt -66.78 -33.92 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 75' ' ' LEU . 38.4 mt -94.34 13.39 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 45.19 15.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -126.8 -179.91 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.98 157.91 37.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 -15.24 37.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.2 m -87.75 -13.7 41.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 174.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.19 -175.06 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -56.16 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 m -51.25 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -47.79 -60.42 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 75' ' ' LEU . 27.1 mt -46.8 -44.1 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -58.49 -46.63 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.64 -44.56 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 1.7 mppt? -68.88 -46.26 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 41' ' ' ILE . 34.8 t80 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.22 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 pttt -53.64 -18.3 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -102.1 21.74 14.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 37' ' ' TYR . 9.6 mm -114.93 -27.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.14 -7.22 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 39' ' ' LYS . 19.3 mt -84.64 -22.87 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -124.97 8.8 8.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 18.7 t-80 -61.54 139.71 95.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.78 -43.33 2.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.17 -30.91 71.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -89.17 46.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -119.05 -177.75 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.776 ' O ' HG22 ' A' ' 53' ' ' VAL . 11.5 t -161.99 138.74 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' OD1' HG13 ' A' ' 53' ' ' VAL . 4.9 p30 -46.08 -39.95 10.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -72.79 138.92 79.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.59 12.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.29 72.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.73 -39.41 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -64.37 -38.75 92.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -57.39 -51.1 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.85 -46.54 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.62 -40.15 84.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 5.5 ttt -62.97 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' MET . 93.4 mm-40 -34.13 -36.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' MET . 3.0 mmpt? -73.16 -54.83 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 68' ' ' ILE . 81.1 t80 -47.21 -61.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 66' ' ' ILE . 2.4 mp -40.34 -57.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.12 -52.99 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.3 mt -48.17 -48.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.76 -20.05 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 34.9 mt-30 -89.51 -56.96 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -42.41 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' GLY . 49.9 t-105 -81.98 -37.48 26.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' GLN . 45.3 mttm -49.44 -33.14 13.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.3 mp -94.6 -49.67 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 22' ' ' LEU . 22.3 mt -83.24 19.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -96.74 -40.64 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.6 167.0 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -81.61 -28.42 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.4 -59.89 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.466 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 43.9 p -54.76 -41.15 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -61.59 -35.14 77.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 86' ' ' LEU . 29.1 tttp -70.84 -48.18 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 37.5 mtmt -56.51 -54.4 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -47.42 -46.23 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.82 -48.34 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.71 -36.33 83.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.15 -57.95 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 1.5 ptm85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.786 0.327 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.51 117.41 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' HD12 ' A' ' 21' ' ' ILE . 34.9 m95 -94.68 -36.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 24.2 m-85 -62.62 -13.29 29.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.16 -38.86 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.596 HD12 ' CE3' ' A' ' 18' ' ' TRP . 72.5 mt -64.15 -38.35 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 14.6 mt -92.94 14.33 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.32 43.17 13.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.14 -176.33 3.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.16 154.63 58.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.75 -2.47 10.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.7 p -105.34 -6.15 19.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.07 -179.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -123.93 172.66 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CE ' ' O ' ' A' ' 76' ' ' GLY . 45.5 tpp -52.28 -44.15 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -57.18 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.81 -65.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.33 -62.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -38.3 -45.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -43.44 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.635 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.6 t80 -59.67 -53.58 56.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -51.0 -59.23 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 43' ' ' LEU . 13.5 ptmt -54.47 -21.45 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -100.55 20.73 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.2 mm -113.54 -41.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -84.56 -9.22 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 42' ' ' LEU . 30.2 mt -81.25 -23.05 38.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HE2' ' A' ' 64' ' ' LYS . 26.1 m-85 -126.94 19.57 7.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 t-80 -71.65 140.11 83.96 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.52 -41.58 84.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -77.45 46.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -111.13 -178.09 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.6 t -163.13 133.67 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -35.42 -38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -38.22 -51.35 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -65.24 138.24 97.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -170.43 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -37.74 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.32 -41.22 92.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -65.45 -36.17 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.21 -45.14 94.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.28 -37.15 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -51.62 -46.19 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.5 tpt -54.4 -50.6 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -48.9 -57.03 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' PHE . 22.2 mmmt -52.47 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 68' ' ' ILE . 75.6 t80 -35.2 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.9 mt -53.09 -56.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -43.52 87.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -57.05 -41.85 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.81 -15.16 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -94.33 -36.34 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.01 -19.85 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 41.6 t-105 -90.73 -30.35 17.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.65 -31.53 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.41 -40.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 18' ' ' TRP . 68.3 mt -93.31 19.36 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.444 ' O ' ' CE ' ' A' ' 30' ' ' MET . . . -95.11 -53.08 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -87.29 162.19 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.6 -29.85 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.21 -50.89 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -63.48 -41.6 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 81' ' ' LYS . 1.3 ttmp? -68.39 -31.65 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.5 tttt -69.93 -42.85 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -65.02 -57.35 8.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLN . 41.1 t80 -39.49 -60.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.5 t70 -36.44 -49.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -62.19 -41.97 98.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' TYR . 8.8 mm100 -61.01 -57.88 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 21' ' ' ILE . 19.5 tttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -75.19 97.48 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.554 ' CE3' HD12 ' A' ' 21' ' ' ILE . 42.2 m95 -76.75 -33.31 58.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 26' ' ' PRO . 47.0 m-85 -63.21 -14.41 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -43.04 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.554 HD12 ' CE3' ' A' ' 18' ' ' TRP . 91.6 mt -56.85 -36.1 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 37.3 mt -94.12 0.05 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.26 41.98 99.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -120.5 -177.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -108.16 151.21 41.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.8 -2.34 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.5 22.56 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.69 178.07 7.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -111.31 -176.41 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.411 ' HE1' ' O ' ' A' ' 75' ' ' LEU . 7.8 mmt -64.66 -55.62 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 t -47.29 -51.84 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' CB ' ' A' ' 24' ' ' ALA . 66.5 mt -41.2 -47.83 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -58.11 -55.42 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -43.68 -52.11 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -60.39 -58.74 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 66.1 t80 -41.15 -58.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -50.91 -38.79 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -72.17 -19.89 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 61.1 mt -102.18 10.07 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.624 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 12.1 mm -102.95 -22.13 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -3.99 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -88.2 -23.11 23.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 85.0 m-85 -124.15 3.13 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.3 t-80 -55.13 140.34 62.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.8 Cg_endo -69.77 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -60.56 -41.19 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.54 49.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -123.81 -175.95 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.8 m -174.07 153.87 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.61 -25.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -46.72 -49.07 20.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 50' ' ' SER . 18.8 m -74.48 138.05 74.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.37 24.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.48 92.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.47 -34.98 35.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -72.68 -33.21 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.74 -50.58 71.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.5 -53.43 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.5 -39.67 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -49.44 -38.86 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' GLN . 6.4 tpt -62.22 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' MET . 36.6 mm-40 -36.7 -49.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 18.9 mmmt -61.85 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.541 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.3 t80 -39.1 -42.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -60.9 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.82 -46.32 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 65' ' ' PHE . 18.2 mt -56.06 -38.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -68.51 -15.39 63.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -94.16 -44.12 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.41 -30.84 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.526 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 27.4 t-105 -82.56 -31.26 29.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.64 -32.69 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 74' ' ' ILE . 5.3 mm -91.2 -50.63 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' O ' ' HE1' ' A' ' 30' ' ' MET . 31.6 mt -75.79 -53.56 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.526 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.95 -32.12 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.38 -177.11 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.04 -37.17 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -75.61 -51.4 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.1 p -72.98 -22.28 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -77.61 -37.36 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -73.63 -40.58 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD12 ' A' ' 86' ' ' LEU . 10.7 mtpt -69.73 -42.97 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -46.9 -59.33 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -42.28 -42.28 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.8 mt -70.86 -42.87 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.98 -42.35 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.64 103.65 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 45.0 m95 -76.32 -41.71 47.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 42.8 m-85 -58.71 -14.07 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.0 m -97.45 -36.52 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.4 -38.89 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 75' ' ' LEU . 24.0 mt -90.21 9.72 27.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.38 42.5 50.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.65 -176.42 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.11 153.06 43.43 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.74 -13.49 34.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -115.46 30.77 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.13 -176.46 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.68 160.11 18.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.04 -54.33 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -54.4 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.27 -57.0 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 mt -53.57 -51.46 62.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -54.39 -44.91 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -52.85 -47.49 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.5 mptp? -67.89 -35.14 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.22 -49.09 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -59.06 -55.01 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' ' HG ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.32 -12.49 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD13 ' A' ' 68' ' ' ILE . 38.7 mt -105.36 11.71 32.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.97 -22.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.51 -7.68 22.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.05 -23.23 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -123.31 4.68 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.6 t-80 -56.23 140.04 72.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.68 -47.56 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.02 -34.21 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -82.89 53.2 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -132.92 178.9 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.673 ' O ' HG22 ' A' ' 53' ' ' VAL . 16.0 t -166.68 153.62 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' ASP . . . -44.59 -34.8 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -36.76 -54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 50' ' ' SER . 25.3 m -65.06 140.07 97.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.74 15.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -20.07 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -26.01 57.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.3 m -73.42 -40.84 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 2.9 tpt -54.28 -55.72 25.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -43.32 -63.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -38.94 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.74 -41.05 56.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 66' ' ' ILE . 4.8 tpt -68.7 -57.86 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -42.59 -42.55 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -69.46 -66.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.5 t80 -40.63 -46.88 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 42.2 mt -57.17 -58.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -52.11 -48.4 64.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 40' ' ' LEU . 23.3 mt -52.79 -44.36 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.46 -9.66 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.75 -49.97 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -48.3 -26.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' GLY . 47.9 t-105 -83.54 -27.14 29.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' HD13 ' A' ' 74' ' ' ILE . 4.6 mmpt? -64.79 -16.51 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 73' ' ' LYS . 3.8 mm -107.82 -39.79 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 22' ' ' LEU . 39.6 mt -97.32 7.92 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -78.65 -46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -95.69 151.27 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.14 -35.79 81.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.9 -56.38 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.464 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 40.0 p -58.81 -32.02 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -70.31 -40.37 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -72.43 -27.37 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 38.6 mtmt -76.2 -43.23 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -65.67 -46.59 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.74 -27.58 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.52 -30.27 52.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -73.07 -45.82 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 18' ' ' TRP . 20.9 mmtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.1 86.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 32.2 m95 -63.87 -39.3 93.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.2 m-85 -61.81 -15.27 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.88 -40.61 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 67' ' ' GLU . 51.9 mt -62.96 -36.42 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD2' HG23 ' A' ' 68' ' ' ILE . 54.6 mt -91.25 3.9 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 40.03 83.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HB2' ' HE3' ' A' ' 36' ' ' LYS . . . -120.88 -178.04 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -109.84 153.25 43.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.848 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.1 Cg_endo -69.79 -10.11 27.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -99.45 -6.57 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . . . -67.76 175.45 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -127.33 174.07 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -47.31 23.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -52.09 -59.92 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.15 -67.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.804 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -39.68 -44.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -54.23 -49.86 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.63 -47.06 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -63.89 -36.2 83.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.839 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.5 t80 -67.52 -56.49 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -49.57 -55.08 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.669 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 ptmt -58.29 -22.05 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD13 ' A' ' 68' ' ' ILE . 88.3 mt -101.53 20.6 15.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.839 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.7 mm -111.27 -35.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -92.07 -6.1 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 39' ' ' LYS . 20.8 mt -85.03 -22.26 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 64' ' ' LYS . 75.2 m-85 -124.65 2.62 8.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -55.04 140.16 62.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.71 -39.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.406 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.24 -47.31 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 30.3 mmtt -52.91 -30.95 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 162.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' ASP . 10.6 t -153.06 144.98 23.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.9 t0 -50.47 -54.88 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' SER . 11.6 m -67.91 138.95 92.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.05 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.65 -32.14 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.65 -47.9 82.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -56.9 -42.27 79.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' GLU . 28.4 tpp -44.76 -60.24 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' MET . 33.2 tt0 -37.04 -57.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.5 -45.94 92.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.4 m -50.04 -34.83 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.1 tpt -69.2 -70.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' MET . 89.4 mm-40 -36.77 -31.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 44' ' ' TYR . 2.0 mmpt? -69.9 -62.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -44.65 -57.47 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 66' ' ' ILE . 2.1 mp -46.97 -55.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' HG21 ' A' ' 21' ' ' ILE . 31.6 mt-10 -54.48 -51.83 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.9 mt -53.33 -60.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.11 -26.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -86.73 -54.6 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.552 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.6 -25.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' GLY . 25.7 t-105 -80.69 -38.59 28.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' GLN . 43.2 mtpt -48.4 -37.25 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.7 mp -93.26 -50.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 19' ' ' TYR . 17.8 mt -85.34 25.83 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -118.63 -36.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' GLU . 44.9 t-20 -104.57 113.18 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ASN . 1.6 mp0 -34.53 -48.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -50.4 -61.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.1 p -59.73 -57.25 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -41.13 -44.66 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -61.1 -59.03 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.31 -43.36 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.76 -59.74 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -44.15 -36.43 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.31 -57.61 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -48.83 -40.99 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.39 130.69 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 68.4 m95 -97.77 -42.65 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 37.7 m-85 -56.57 -13.22 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.38 -39.99 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.478 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.9 mt -62.36 -35.23 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.91 7.44 44.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.02 43.52 61.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -177.02 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.54 153.61 42.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.743 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.4 Cg_endo -69.76 -0.78 7.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -125.8 29.97 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.92 171.51 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' MET . 59.9 m-80 -104.11 151.61 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -36.19 -52.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' ASP . 30.0 t -54.67 -68.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.7 m-20 -35.7 -61.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.424 HD22 HD13 ' A' ' 75' ' ' LEU . 37.6 mt -47.01 -55.92 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -51.52 -53.38 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -47.03 -48.38 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -63.07 -54.79 32.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.9 t80 -49.34 -59.66 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.53 -38.94 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' ILE . 76.8 mt -97.58 16.66 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 5.9 mm -108.43 -26.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.49 -32.83 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.67 -44.93 92.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 13.5 m-85 -103.07 31.75 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 24.0 t-80 -84.93 139.4 37.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.73 -41.3 4.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.92 -35.2 80.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -66.71 -30.64 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.15 159.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m -169.34 165.74 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.27 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.2 138.42 97.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.47 3.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.5 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.27 -58.74 11.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' MET . 91.5 m -39.49 -56.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 10.2 tpt -35.75 -56.55 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.99 -43.32 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' THR . 6.0 mm-40 -66.81 -44.25 81.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.97 -54.2 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.9 tpt -42.22 -61.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -46.11 -55.05 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 44' ' ' TYR . 13.4 mmmt -55.97 -62.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HA ' HD12 ' A' ' 68' ' ' ILE . 83.7 t80 -42.48 -44.85 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.22 -57.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -46.78 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 40' ' ' LEU . 37.6 mt -56.22 -50.16 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -17.2 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 44.5 mt-30 -90.5 -51.31 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.64 -30.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 48.9 t-105 -76.85 -36.12 57.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' GLN . 28.7 mmmt -49.73 -33.4 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 74' ' ' ILE . 4.0 mp -96.06 -72.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 HD22 ' A' ' 33' ' ' LEU . 73.1 mt -52.59 -37.71 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -56.34 -39.76 83.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -79.47 176.59 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -103.81 -43.23 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.69 -57.37 9.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 83' ' ' LYS . 40.7 p -61.82 -54.08 47.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -37.85 -40.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 17.3 ttpt -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.2 mtmm -57.02 -46.94 81.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 87' ' ' GLN . 50.0 t80 -53.08 -60.36 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -39.86 -49.82 2.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.65 -36.86 85.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 84' ' ' TYR . 10.9 mm100 -65.2 -58.34 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HE2' ' CH2' ' A' ' 18' ' ' TRP . 3.6 ttpm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.93 129.74 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 21' ' ' ILE . 60.9 m95 -103.51 -38.74 7.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 34.1 m-85 -62.79 -13.52 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -97.1 -36.99 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.58 HD12 ' CE3' ' A' ' 18' ' ' TRP . 94.9 mt -63.94 -38.42 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 71' ' ' ALA . 15.4 mt -92.09 3.31 55.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.08 43.78 96.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.94 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -107.58 153.5 41.34 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.75 -0.48 6.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.74 2.294 . . . . 0.0 112.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -123.24 26.71 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.0 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -108.14 158.43 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.3 OUTLIER -41.9 -51.36 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -55.07 -55.29 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.25 -62.66 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.63 -49.75 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 72' ' ' TRP . 16.9 tttt -51.05 -57.74 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -44.1 -47.61 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -65.03 -47.12 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 75.0 t80 -54.42 -60.21 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.57 -61.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -55.39 -21.68 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.1 mt -101.38 19.73 17.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 9.2 mm -110.04 -33.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -94.56 -8.7 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 40' ' ' LEU . 22.7 mt -80.23 -22.71 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 50.4 m-85 -125.45 13.87 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.55 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 9.7 t-80 -75.43 141.16 72.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.3 Cg_endo -69.8 -41.08 4.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.46 -43.01 82.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HZ2' ' CE1' ' A' ' 45' ' ' HIS . 6.9 mptt -75.68 48.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -119.05 -179.63 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 53' ' ' VAL . 3.0 m -159.94 141.17 12.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.81 -21.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.84 -53.25 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 50' ' ' SER . 12.9 m -62.73 139.97 97.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.55 10.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.84 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.01 -30.23 72.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.1 m -73.01 -52.09 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -40.04 -51.46 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.37 -50.72 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -59.42 -38.65 81.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.31 -51.54 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -48.83 -60.8 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -40.95 -59.47 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 19.1 mmmt -56.11 -68.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.2 t80 -35.09 -42.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.69 -51.73 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -59.16 -41.56 88.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 40' ' ' LEU . 32.1 mt -60.29 -59.95 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -46.59 -22.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -84.07 -55.87 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.71 -34.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.547 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 36.1 t-105 -67.85 -42.45 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 74' ' ' ILE . 23.1 mtpp -45.86 -34.2 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -102.63 -57.03 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.7 mt -84.52 33.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.96 -32.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -102.97 152.02 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.18 -22.98 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -84.65 -74.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 p -44.9 -48.01 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -48.17 -45.48 33.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -63.82 -47.39 81.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.52 -55.82 12.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -40.75 -59.69 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.23 -61.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.9 mm? -55.36 -48.3 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' ARG . 17.3 mm100 -48.12 -57.79 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' GLN . 12.3 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.773 0.321 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.28 102.12 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 70' ' ' GLN . 43.1 m95 -75.39 -31.28 60.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 26.7 m-85 -67.66 -14.48 62.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.53 -37.58 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' CE3' ' A' ' 18' ' ' TRP . 59.1 mt -66.53 -33.4 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 75' ' ' LEU . 31.5 mt -97.61 7.86 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.48 40.62 54.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -118.74 175.89 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -107.26 155.61 39.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.77 -3.0 11.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -123.79 3.86 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . . . -58.07 167.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -98.01 151.53 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.4 tpt -43.26 -52.15 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -52.7 -51.18 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.63 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 24' ' ' ALA . 65.3 mt -40.36 -63.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -45.6 -58.48 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -43.99 -44.79 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -52.97 23.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CE1' HD11 ' A' ' 41' ' ' ILE . 30.9 t80 -49.78 -53.59 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -54.84 -40.55 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 tttt -70.19 -15.38 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.808 ' O ' HD13 ' A' ' 68' ' ' ILE . 45.8 mt -105.45 8.79 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 37' ' ' TYR . 14.9 mm -102.67 -21.16 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -2.87 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 39' ' ' LYS . 27.2 mt -88.52 -23.33 23.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 88.5 m-85 -123.82 -0.48 8.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 t-80 -50.2 140.17 17.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.27 -46.41 73.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 37.2 mmtt -54.39 -26.06 28.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -45.94 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.6 m -163.97 154.4 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.52 -26.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -48.02 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -65.25 139.98 97.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 -30.23 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.56 -51.62 30.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 m -53.0 -37.36 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.3 mmm -50.86 -53.03 35.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.46 -45.93 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -22.55 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.7 t -66.84 -38.93 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -62.54 -56.05 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -46.45 -57.73 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 19.4 mmmt -53.87 -59.41 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 68' ' ' ILE . 77.6 t80 -46.62 -56.28 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.7 mt -46.13 -47.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.73 -41.87 97.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 40' ' ' LEU . 24.9 mt -60.18 -44.4 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.13 -15.88 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.576 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 68.6 mt-30 -93.53 -36.25 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 18' ' ' TRP . . . -66.33 -9.61 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.579 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 44.7 t-105 -97.6 -26.42 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.53 -19.6 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.14 -46.56 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 22' ' ' LEU . 43.0 mt -93.59 26.78 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -27.09 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -105.66 121.46 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -42.98 -35.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.38 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -56.41 -61.75 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -39.03 -35.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.5 tmtt? -72.17 -50.12 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -59.77 -44.93 93.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' ASP . 19.1 t80 -48.36 -67.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' TYR . 8.2 t0 -35.71 -48.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -64.71 -50.97 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -52.8 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 14.9 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.65 86.87 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CE3' HD12 ' A' ' 21' ' ' ILE . 11.6 m95 -65.43 -41.48 93.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 21.5 m-85 -60.1 -14.67 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -101.16 -40.9 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.802 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.509 HD12 ' CE3' ' A' ' 18' ' ' TRP . 29.1 mt -65.74 -21.91 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 75' ' ' LEU . 51.6 mt -107.7 11.58 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.1 42.77 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.78 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.3 156.24 40.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.72 -4.02 13.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -120.71 29.04 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.49 170.76 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.056 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -110.43 152.73 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 mmm -40.55 -49.36 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.7 m -51.79 -51.78 53.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.38 -60.76 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 75' ' ' LEU . 21.8 mt -45.66 -41.28 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' CH2' ' A' ' 72' ' ' TRP . 27.5 tttt -65.13 -45.07 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.45 -45.7 84.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.53 -37.41 86.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 4.4 t80 -66.8 -61.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 37.2 mt-30 -52.48 -29.65 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 4.2 tptt -82.24 -25.07 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.778 ' O ' HD13 ' A' ' 68' ' ' ILE . 67.4 mt -95.72 16.19 18.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mm -105.92 -33.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -74.83 -31.09 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 22.7 mt -67.26 -24.83 65.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 29.4 m-85 -107.03 -27.29 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t-80 -38.11 140.26 0.58 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.8 -43.81 2.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.16 -27.13 64.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.9 mmtt -86.69 45.58 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -125.06 174.02 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.2 t -159.13 153.74 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.96 -25.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -49.85 -56.25 11.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' SER . 5.0 m -64.93 138.97 97.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 176.46 6.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -36.32 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.4 -46.69 93.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.2 m -51.49 -36.52 44.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' CYS . 34.5 tpp -65.6 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.31 -42.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -73.84 -40.27 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.2 m -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.65 -62.26 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.95 -37.79 15.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 13.1 mmtp -75.23 -57.79 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' HA ' HD12 ' A' ' 68' ' ' ILE . 43.0 t80 -44.99 -41.38 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 65.8 mt -65.93 -44.72 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.73 -39.02 92.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.2 mt -61.82 -49.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 47.4 t0 -55.89 -18.24 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -93.77 -50.21 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -45.02 -25.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 39.1 t-105 -90.94 -27.53 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' GLN . 18.6 mtpp -59.28 -46.45 88.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.93 -48.05 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 22' ' ' LEU . 9.8 mt -57.09 -61.86 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.42 -40.46 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 48.4 t-20 -74.97 121.87 22.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.48 -23.8 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -69.84 -58.97 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -72.42 -46.33 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 12.9 tttp -47.28 -28.71 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -71.06 -48.91 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -67.11 -36.31 81.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.86 -64.29 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.11 -53.79 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.04 -45.29 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.3 mm100 -54.51 -47.85 72.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' GLN . 33.3 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 tttm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 13.5 m-20 -104.14 129.76 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 41.3 m95 -100.55 -37.9 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 34.7 m-85 -60.04 -13.35 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -99.4 -38.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.3 mt -64.33 -37.42 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 75' ' ' LEU . 32.4 mt -92.23 7.45 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.79 42.97 53.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.477 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -119.28 -175.13 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -111.22 150.81 42.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 -0.17 6.56 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -130.15 25.48 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.28 164.16 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' MET . 54.1 m-20 -89.0 142.69 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 tpp -37.26 -46.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.97 -53.36 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.44 -58.06 7.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.3 mt -48.87 -42.49 36.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.93 -44.11 97.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -56.42 -47.84 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -48.06 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 41' ' ' ILE . 45.8 t80 -52.71 -62.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.92 -45.13 50.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -67.49 -27.47 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 68' ' ' ILE . 91.6 mt -97.01 15.88 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 ' CE1' ' A' ' 37' ' ' TYR . 2.8 mm -106.54 -30.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -78.71 -31.94 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.6 -37.05 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 37.8 m-85 -110.54 33.16 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 10.9 t-80 -94.07 140.35 22.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.82 -45.92 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -67.82 -46.53 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 20.1 mmtm -58.88 -11.54 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -52.25 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.0 m -171.51 157.93 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.71 -10.12 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -43.19 78.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 50' ' ' SER . 19.3 m -70.67 139.05 85.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.665 0.745 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.53 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.82 -2.19 58.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.8 -42.57 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -58.02 -48.3 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.3 tpt -42.18 -62.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -44.35 -41.75 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.88 -40.88 83.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 m -55.21 -16.07 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -80.88 -56.64 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -53.05 -29.99 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -79.98 -56.17 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -47.21 -48.42 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.82 -58.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.01 -50.83 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.0 mt -53.86 -39.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.93 -10.24 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.66 -40.98 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -57.19 -17.99 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 51.6 t-105 -96.3 -38.36 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -47.87 -40.27 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.83 -54.51 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 22' ' ' LEU . 59.0 mt -61.6 -60.5 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -39.02 -33.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -75.85 179.4 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.34 -43.03 3.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.01 -59.7 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.0 p -61.47 -29.29 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 81' ' ' LYS . 11.6 tmtt? -75.44 -36.08 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -72.04 -35.0 69.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -75.53 -51.73 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -52.26 -47.16 65.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -30.59 10.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.67 -38.22 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -53.44 -40.76 65.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 11.1 mtm105 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE3' ' CZ3' ' A' ' 18' ' ' TRP . 16.6 ttpt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.27 141.49 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' A' ' 21' ' ' ILE . 48.3 m95 -113.93 -44.84 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -56.19 -13.79 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -97.21 -35.9 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.728 HD13 ' HB3' ' A' ' 67' ' ' GLU . 61.9 mt -65.08 -38.83 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 23.8 mt -89.21 6.98 37.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.39 43.68 84.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.96 -176.0 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.34 151.27 45.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.546 0.689 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.38 8.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -109.99 0.32 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -177.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' MET . 50.1 t30 -125.06 150.58 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ASN . 37.0 tpp -37.04 -40.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -61.46 -54.91 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.5 t0 -57.06 -67.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ASP . 11.1 mt -34.45 -55.68 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -45.74 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.83 -44.3 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -65.37 -57.21 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 25.7 t80 -50.56 -52.49 38.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -50.08 -60.0 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.955 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -55.34 -20.07 10.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 68' ' ' ILE . 94.6 mt -96.78 16.57 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 10.1 mm -109.44 -24.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -94.33 -26.23 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.71 -35.69 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -115.38 32.32 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.9 t-80 -85.28 140.16 36.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.77 -45.1 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.81 -45.02 79.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.3 mmtt -55.52 -16.18 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -57.47 166.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -152.96 176.26 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -4.18 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.82 -30.95 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.55 139.51 22.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.65 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 -32.7 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.36 52.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -51.8 -50.6 60.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -40.56 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -45.23 -46.7 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.09 -36.04 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.76 -45.78 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -57.75 -58.94 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -42.3 -41.02 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -72.66 -64.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -40.26 -42.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.455 HG22 ' OE1' ' A' ' 70' ' ' GLN . 93.3 mt -57.35 -53.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' A' ' 21' ' ' ILE . 24.5 mt-10 -57.99 -49.22 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.9 mt -57.08 -44.64 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.01 -12.55 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' OE1' HG22 ' A' ' 66' ' ' ILE . 39.8 mt-30 -97.98 -44.9 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -47.68 -28.39 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -82.02 -27.49 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 73' ' ' LYS . 3.7 mmpt? -56.03 -27.41 53.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.8 mp -110.57 -30.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.6 mt -98.76 27.36 4.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.82 -45.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -87.17 130.3 34.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.0 -23.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.99 -70.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -48.8 -35.06 13.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -68.54 -34.15 75.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.12 -34.41 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.5 mtmp? -71.13 -57.5 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 39.7 t80 -45.74 -52.96 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.69 -44.27 37.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.7 mt -64.76 -51.09 64.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.13 -41.09 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' ' CH2' ' A' ' 18' ' ' TRP . 19.3 tttp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -59.87 109.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CH2' ' HD3' ' A' ' 16' ' ' LYS . 70.5 m95 -98.61 -37.09 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.471 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 27.2 m-85 -61.86 -13.38 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -98.8 -41.96 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' CE3' ' A' ' 18' ' ' TRP . 61.3 mt -59.61 -34.01 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HG23 ' A' ' 68' ' ' ILE . 56.4 mt -93.93 -17.01 23.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 44.66 12.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.52 171.53 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.81 150.77 41.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.73 -1.14 7.95 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.751 2.301 . . . . 0.0 112.335 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -126.04 35.31 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.71 171.79 7.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -111.4 177.86 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.4 -57.93 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -44.63 -37.74 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -78.53 -74.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 24' ' ' ALA . 29.5 mt -35.73 -45.73 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.537 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 3.0 ttpm? -57.2 -57.07 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -41.18 -45.97 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -39.13 75.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.79 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.2 t80 -60.97 -54.92 39.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.16 -58.88 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -56.84 -16.98 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.2 mt -107.11 21.02 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.79 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.6 mm -111.75 -21.31 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -103.33 -12.39 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 HD23 ' A' ' 40' ' ' LEU . 30.3 mt -78.39 -23.83 46.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 50.9 m-85 -125.0 19.94 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 t-80 -81.06 140.74 49.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.3 Cg_endo -69.76 -39.74 6.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.06 -33.94 59.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 8.4 mmtp -80.16 44.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' OE1' HG21 ' A' ' 53' ' ' VAL . 78.8 mm-40 -112.02 176.82 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.2 m -168.27 148.14 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -33.91 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.9 m-20 -38.01 -63.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.48 HG21 ' OE1' ' A' ' 49' ' ' GLN . 32.2 m -68.43 133.38 91.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.648 0.737 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.75 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.74 -40.07 98.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -59.56 -42.11 91.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 tpt -52.76 -43.01 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -52.52 -59.46 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.7 m -48.74 -37.72 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.582 ' HG3' HD11 ' A' ' 66' ' ' ILE . 3.2 tpt -59.98 -71.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' MET . 57.0 mm-40 -35.54 -40.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 44' ' ' TYR . 44.8 mmtm -66.72 -58.29 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -45.68 -58.79 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 62' ' ' MET . 3.7 mp -45.57 -54.4 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.8 -51.89 64.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 17.9 mt -55.49 -60.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -46.27 -26.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' LYS . 79.6 mt-30 -82.83 -52.25 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.29 -35.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 43.0 t-105 -71.52 -37.59 71.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' GLN . 44.5 mtmt -50.9 -36.07 36.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -95.83 -48.3 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.13 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -107.35 -42.71 1.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -102.18 155.93 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.02 -46.2 88.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.48 -58.31 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.3 p -58.4 -55.48 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.48 -44.13 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 86' ' ' LEU . 19.8 tttp -64.08 -54.95 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -54.55 -53.13 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 88' ' ' ARG . 50.3 t80 -45.13 -61.65 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.9 t70 -36.08 -46.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -70.85 -45.39 64.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.76 -45.06 74.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 10.4 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 13.7 ttmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.15 88.73 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.545 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 37.5 m95 -73.29 -42.99 61.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CE1' HD22 ' A' ' 75' ' ' LEU . 22.4 m-85 -56.42 -14.1 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -98.01 -40.07 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.534 HG21 ' HB3' ' A' ' 67' ' ' GLU . 40.5 mt -65.01 -35.32 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 31.4 mt -95.74 18.84 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.31 41.46 2.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -117.01 -178.96 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -106.02 153.22 40.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.8 -22.04 32.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.5 p -101.42 18.79 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 176.59 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -113.28 178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.08 -46.74 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.62 -59.47 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -47.73 -62.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 75' ' ' LEU . 64.0 mt -46.55 -50.1 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -50.74 -56.62 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.1 -49.08 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -35.2 79.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.78 ' CE1' HD11 ' A' ' 41' ' ' ILE . 48.4 t80 -67.54 -59.99 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -50.69 -40.56 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.824 ' HE2' HD11 ' A' ' 43' ' ' LEU . 12.8 tptm -70.01 -19.87 63.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.745 ' O ' HD13 ' A' ' 68' ' ' ILE . 89.3 mt -104.72 9.02 35.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' CE1' ' A' ' 37' ' ' TYR . 11.4 mm -102.27 -20.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 -6.38 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.824 HD11 ' HE2' ' A' ' 39' ' ' LYS . 23.7 mt -84.37 -23.52 30.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.488 ' CE2' ' HG3' ' A' ' 64' ' ' LYS . 50.7 m-85 -124.23 11.61 8.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.1 t-80 -68.96 140.1 91.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.74 -43.31 2.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.633 2.222 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.76 -48.41 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.68 -27.48 40.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' OE1' HG21 ' A' ' 53' ' ' VAL . 72.6 mm-40 -38.72 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.7 m -153.66 149.34 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.91 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' SER . 18.7 t0 -52.06 -61.33 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG21 ' OE1' ' A' ' 49' ' ' GLN . 4.4 m -63.04 137.79 97.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.01 -38.44 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.8 99.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.6 m -60.41 -37.08 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.54 -49.89 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -54.53 -48.57 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.96 -50.04 10.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -40.17 -56.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 3.9 mmpt? -59.7 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.683 ' HA ' HD12 ' A' ' 68' ' ' ILE . 67.9 t80 -37.81 -48.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.97 -62.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' HG21 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -50.21 -47.7 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.5 mt -54.67 -54.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.59 -23.9 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.29 -49.21 8.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.545 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.19 -38.4 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 24.5 t-105 -64.72 -44.99 88.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -44.25 -35.87 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.3 mp -96.16 -56.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 19' ' ' TYR . 46.2 mt -85.87 34.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -110.88 -43.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.5 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -104.67 156.81 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.07 -42.63 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.85 -47.28 85.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.1 p -69.42 -56.78 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -35.06 47.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -68.29 -51.75 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.28 -46.68 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -45.36 -58.75 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -40.25 -48.6 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.88 -45.45 85.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.51 -48.38 79.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 4.0 ptm85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.5 141.45 50.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.579 ' CE3' HD12 ' A' ' 21' ' ' ILE . 36.7 m95 -115.17 -43.5 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 40.5 m-85 -57.03 -13.18 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -97.76 -36.77 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.579 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.8 mt -66.44 -34.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 46.6 mt -93.66 2.06 56.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.04 41.17 97.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -122.84 -178.39 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -112.69 155.11 44.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.623 0.725 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.77 -16.48 37.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 p -99.54 4.64 46.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.34 162.12 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -99.1 165.33 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -47.71 -63.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -39.82 -63.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 8.8 m-20 -47.18 -72.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.1 mt -38.61 -47.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.34 -43.9 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' ASP . 76.8 mt-30 -58.48 -45.86 87.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.56 -40.39 95.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 14.0 t80 -61.77 -51.03 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.63 -57.3 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.39 -19.27 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.8 mt -102.19 23.21 11.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mm -114.37 -37.61 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.12 -35.75 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.09 -46.7 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 31.3 m-85 -105.73 40.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -97.3 140.2 21.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.79 -45.71 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.86 -46.96 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.37 -20.5 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -48.25 172.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 t -163.75 170.83 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.89 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -49.3 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.38 135.38 72.58 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.56 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.64 44.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.5 m -52.07 -42.31 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 tpt -45.49 -49.81 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.68 -47.21 70.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.28 -40.55 96.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -52.16 -48.76 64.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.88 -55.62 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.92 -54.18 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -57.2 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -40.93 -63.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.8 mt -39.43 -48.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 21' ' ' ILE . 9.5 mm-40 -63.17 -50.99 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' O ' ' A' ' 40' ' ' LEU . 26.5 mt -55.81 -56.71 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 17.9 t0 -52.57 -16.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' N ' ' OE1' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.14 -52.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -43.18 -37.33 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.593 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 38.5 t-105 -70.79 -32.71 69.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' GLN . 70.0 mmtt -52.07 -40.45 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -97.71 -23.93 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 18.9 mt -108.3 28.68 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -122.67 -34.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -100.13 130.56 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.85 -31.19 48.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.38 -44.81 78.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 81' ' ' LYS . 20.4 p -76.62 -63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 80' ' ' THR . 31.5 tttt -36.38 -43.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -62.62 -56.26 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -55.91 -47.17 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD1' ' OE1' ' A' ' 87' ' ' GLN . 51.8 t80 -60.77 -38.48 85.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.51 -17.97 60.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.42 -58.17 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CD1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -47.98 -42.85 28.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 2.3 ptm85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -94.87 99.28 11.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CE3' HD12 ' A' ' 21' ' ' ILE . 44.3 m95 -71.55 -35.31 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 30.9 m-85 -64.28 -13.35 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.54 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.528 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.7 mt -60.89 -36.2 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 75' ' ' LEU . 16.0 mt -98.81 16.14 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.16 42.56 5.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 170.29 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -98.65 149.31 35.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 -2.23 9.83 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -120.45 10.91 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.14 -175.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' MET . 17.5 m-80 -120.69 154.87 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -35.35 -51.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 t -49.44 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' ' 35' ' ' GLN . 4.9 m-20 -40.06 -62.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -45.35 -39.82 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -66.31 -61.73 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' CG ' ' HA ' ' A' ' 32' ' ' ASP . 10.1 pt20 -48.86 -49.19 40.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -57.19 -42.95 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.743 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -61.28 -60.22 4.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -46.52 -59.23 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -55.14 -22.53 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 68' ' ' ILE . 80.8 mt -100.62 23.55 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.743 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 4.8 mm -113.66 -38.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -74.36 -34.51 63.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.9 -43.7 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -105.0 35.16 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.2 t-80 -95.67 139.7 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.73 -38.52 7.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -75.44 -28.34 59.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 24.6 mmtt -87.99 37.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.66 176.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 53' ' ' VAL . 79.3 p -168.08 143.1 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.13 -24.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -53.04 -44.17 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 50' ' ' SER . 5.4 m -74.15 138.35 75.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -167.45 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.18 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.043 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.52 90.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.6 m -46.62 -39.7 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -45.68 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.56 -25.33 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.05 -29.54 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.84 -29.25 69.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -72.34 -55.35 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.07 -38.92 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -72.74 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -42.73 -52.64 4.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.2 mt -52.0 -56.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.71 -49.41 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 40' ' ' LEU . 22.3 mt -53.89 -52.06 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.8 -18.38 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.477 ' N ' ' OE1' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.6 -53.57 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.512 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.35 -25.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.572 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 60.2 t-105 -85.05 -31.59 23.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 74' ' ' ILE . 39.5 mtmt -59.26 -24.55 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.9 mp -106.38 -38.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 22' ' ' LEU . 96.7 mt -95.23 16.4 16.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -106.21 -31.07 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 23.6 t-20 -88.86 158.43 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.42 -36.74 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.81 -64.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 83' ' ' LYS . 24.0 p -51.25 -57.03 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 7.8 tmtt? -47.2 -33.13 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -80.09 -26.75 39.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HZ1' ' HA ' ' A' ' 80' ' ' THR . 7.8 mtmp? -78.99 -53.61 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -48.13 -50.96 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -50.7 -44.64 58.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 83' ' ' LYS . 12.6 mt -67.74 -54.47 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.1 mm100 -46.89 -46.55 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 13.3 mtp-105 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -59.29 104.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.804 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -148.06 119.63 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.92 90.28 0.67 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -156.76 135.27 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -66.79 149.81 50.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.13 -71.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttm -41.96 129.81 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 148.75 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.3 mm? -84.54 74.31 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 11.1 pt-20 36.19 44.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -91.17 -58.04 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -139.2 -179.09 5.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt 57.52 30.09 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -120.75 -40.1 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HE3' ' CH2' ' A' ' 18' ' ' TRP . 20.5 ttpp -78.3 133.76 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.93 109.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.573 ' CH2' ' HE3' ' A' ' 16' ' ' LYS . 47.5 m95 -93.2 -37.06 12.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -60.77 -13.37 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.84 -40.38 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.07 -36.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 75' ' ' LEU . 75.8 mt -87.09 -19.44 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.86 34.94 20.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.84 -176.62 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.84 152.67 43.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.37 6.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -122.9 22.07 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.13 161.47 13.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -100.48 158.39 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 14.5 mmm -39.37 -65.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' MET . 48.5 t -35.05 -41.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.91 -56.39 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 75' ' ' LEU . 15.9 mt -51.09 -56.23 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -46.09 -53.77 9.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -45.33 -44.76 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -69.16 -37.01 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 56.1 t80 -64.74 -55.21 21.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.51 -54.22 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -58.74 -18.77 34.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.1 mt -105.09 21.12 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 8.7 mm -113.47 -22.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.13 -6.34 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.37 -23.1 28.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -125.67 7.53 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.6 t-80 -57.52 139.52 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.595 0.712 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.83 -43.76 2.42 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.83 -28.24 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -93.93 47.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 58' ' ' MET . 61.6 mm-40 -113.11 179.45 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -124.24 134.19 53.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.32 56.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.92 31.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 50' ' ' SER . 30.7 m -108.14 141.4 23.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.11 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.89 -33.43 51.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.83 49.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -52.31 -48.99 65.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' A' ' 49' ' ' GLN . 2.3 mmt -53.64 -66.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -46.36 -46.17 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.58 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -49.38 68.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -55.35 -57.53 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -41.69 -42.07 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -73.25 -59.93 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HA ' HD12 ' A' ' 68' ' ' ILE . 70.6 t80 -44.22 -42.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.87 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.84 -41.87 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 40' ' ' LEU . 12.8 mt -64.18 -39.72 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.1 -18.36 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -91.88 -45.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.454 ' CB ' ' HG ' ' A' ' 22' ' ' LEU . . . -53.11 -19.58 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 46.8 t-105 -95.66 -31.02 13.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.35 -18.27 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 mp -111.13 -35.24 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 33' ' ' LEU . 57.4 mt -95.66 8.57 43.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -93.76 -40.5 4.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -84.04 -177.51 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 8.6 tm-20 -99.32 -30.89 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -77.79 -56.46 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 p -57.49 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -53.08 -27.71 21.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -84.02 -54.32 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -34.56 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -60.11 -58.98 6.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.54 -51.04 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.0 mm? -59.05 -43.56 91.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.43 -58.27 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.9 ptm85 -58.35 158.1 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -83.01 157.87 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.84 148.29 19.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 p -77.49 102.75 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -163.9 166.2 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -164.33 136.48 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -110.33 146.7 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.49 152.8 29.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -124.16 145.73 49.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -120.13 170.75 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.57 88.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -154.31 149.48 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 128.1 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.48 48.37 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 59.36 43.7 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 13' ' ' THR . 16.5 mt-30 -94.88 61.94 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 12' ' ' GLN . 2.0 p -162.93 -176.53 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 87' ' ' GLN . 25.0 mt -38.61 -43.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.7 mmtp -35.94 -63.08 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 21' ' ' ILE . 13.3 ttmt -57.48 133.05 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -68.71 102.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CE3' HD12 ' A' ' 21' ' ' ILE . 27.0 m95 -72.59 -44.18 62.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.7 m-85 -56.9 -13.34 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -95.52 -32.21 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.748 HD12 ' CE3' ' A' ' 18' ' ' TRP . 79.9 mt -68.57 -36.28 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 75' ' ' LEU . 15.3 mt -95.5 8.53 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.39 38.92 58.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 176.9 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.68 154.86 41.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -110.03 18.19 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.13 173.35 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -111.23 167.59 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.32 -65.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -41.86 -61.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.75 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.3 mt -40.53 -47.22 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -58.53 -48.98 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -51.86 -38.39 55.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.65 -34.52 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.721 ' CE1' HD11 ' A' ' 41' ' ' ILE . 26.9 t80 -68.99 -57.57 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -48.44 -49.97 33.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.03 -21.59 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 68' ' ' ILE . 96.5 mt -101.84 19.36 18.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 37' ' ' TYR . 10.4 mm -110.9 -26.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.2 -5.92 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 43' ' ' LEU . 20.7 mt -85.11 -23.35 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 49.7 m-85 -122.54 4.49 9.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.2 t-80 -60.31 139.94 91.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.77 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.09 -41.63 85.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 56.4 mmtt -60.49 -19.56 57.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -52.07 162.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 53' ' ' VAL . 75.6 m -143.51 154.3 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.2 -19.67 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.77 -57.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' SER . 3.4 m -61.89 140.56 95.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.63 0.729 . . . . 0.0 111.092 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -166.88 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.5 -42.26 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.85 -58.16 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.6 m -44.51 -42.31 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 tpt -45.83 -53.11 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.41 -46.74 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.93 -45.98 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.97 -44.55 41.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.5 tpt -57.33 -60.66 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -41.45 -54.84 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -59.01 -67.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 68' ' ' ILE . 79.5 t80 -37.42 -41.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -49.58 82.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 40' ' ' LEU . 33.6 mt -59.39 -48.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.89 -21.37 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -85.18 -44.7 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -25.52 38.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.561 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 60.0 t-105 -82.37 -36.83 26.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -48.57 -41.27 30.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -91.43 -61.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 22' ' ' LEU . 74.0 mt -61.06 -51.99 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.7 -32.49 1.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 79' ' ' GLU . 11.6 t-20 -87.83 178.63 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -108.35 -35.97 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG2' ' ND2' ' A' ' 77' ' ' ASN . 6.7 pt-20 -71.71 -55.95 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 p -67.2 -28.62 68.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -73.64 -35.53 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -73.12 -32.52 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.49 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 3.0 t80 -53.71 -52.8 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -50.4 -42.78 54.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.19 -40.21 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 11.7 mm-40 -59.09 -42.46 90.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -79.28 -4.39 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.0 t -128.79 93.28 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -142.06 146.25 17.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.0 25.04 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.9 p -64.48 130.81 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.4 t -125.14 81.94 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -131.68 108.22 9.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t 52.68 42.54 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.03 156.85 42.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m -64.81 90.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -87.49 143.06 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.85 135.41 0.85 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 tpt -101.21 -53.47 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.46 132.3 56.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -119.98 -12.45 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -106.02 47.21 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -123.0 -179.0 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.3 p -126.29 -45.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 mt -103.9 -45.54 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -52.72 -36.0 56.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' A' ' 21' ' ' ILE . 23.6 tttm -74.46 155.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.47 132.08 46.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 42.3 m95 -109.66 -33.5 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 36.7 m-85 -63.29 -14.21 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.17 -38.95 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.557 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 67.2 mt -61.75 -36.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 75' ' ' LEU . 15.9 mt -95.36 12.75 28.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.59 46.66 37.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.84 -174.99 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.18 156.55 42.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.73 -1.76 9.0 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 -0.45 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.57 166.41 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' MET . 5.8 m120 -107.4 150.71 26.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' ASN . 5.0 mmt -36.37 -63.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -38.32 -55.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -67.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 24' ' ' ALA . 43.0 mt -36.24 -50.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -58.12 -46.8 84.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 32.8 mt-30 -53.71 -46.6 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.38 -36.92 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.8 t80 -62.63 -54.28 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.07 -57.11 8.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -21.63 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.787 ' O ' HD13 ' A' ' 68' ' ' ILE . 92.5 mt -101.15 24.25 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' TYR . 6.7 mm -114.66 -38.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.808 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -75.26 -39.74 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.18 -44.72 68.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -104.36 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -106.14 140.12 20.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.361 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.99 -34.18 73.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.808 ' NZ ' HD22 ' A' ' 42' ' ' LEU . 16.4 mmtp -83.12 37.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.638 ' OE1' HG21 ' A' ' 53' ' ' VAL . 70.8 mm-40 -99.55 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.506 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.2 t -165.24 144.31 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.08 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' SER . 39.0 t0 -48.26 -59.07 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.638 HG21 ' OE1' ' A' ' 49' ' ' GLN . 27.1 m -64.12 140.11 97.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.48 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.294 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.97 -30.64 17.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.39 -38.67 80.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -38.03 86.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.6 tpt -51.98 -43.99 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.37 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -68.39 -33.57 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.44 -42.23 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -54.26 -58.94 5.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.91 -56.87 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -57.68 10.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -45.75 -49.94 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.39 -38.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.82 -46.92 56.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.0 mt -57.62 -42.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.36 -16.26 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.94 -46.47 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -50.51 -30.71 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 42.4 t-105 -79.71 -36.53 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 74' ' ' ILE . 22.7 mtpp -52.34 -19.67 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.9 mp -113.34 -40.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 52.9 mt -97.79 31.41 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -120.2 -23.61 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -109.94 167.19 10.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -81.53 -34.61 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -56.54 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -57.17 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -43.97 -42.97 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -58.83 -50.64 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.09 -56.5 21.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -49.47 -59.34 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.07 -34.11 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.44 -41.68 24.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -61.01 -54.26 47.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 3.7 ptm85 -51.86 -42.41 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -64.06 114.31 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -128.1 175.64 18.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.32 4.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 t -79.7 142.94 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 t -137.05 121.53 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -157.89 167.78 29.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -111.68 124.55 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.97 18.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -88.42 38.07 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -122.87 159.77 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.56 70.14 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -119.76 114.7 22.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.47 178.81 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -110.86 121.83 46.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 61.42 52.93 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -80.47 8.97 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -94.38 -46.99 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 mt -76.8 -18.06 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -76.83 -36.29 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' HD11 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -77.47 121.68 24.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.81 95.37 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 21' ' ' ILE . 41.8 m95 -67.6 -44.97 76.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.2 m-85 -56.05 -14.72 2.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.23 -38.85 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.622 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.7 mt -61.77 -40.23 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 71' ' ' ALA . 21.4 mt -89.15 3.9 50.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.5 41.53 93.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.3 -176.99 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.87 156.75 49.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.79 -4.39 13.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 m -104.49 -8.07 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 176.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -125.47 157.61 36.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.8 mtp -38.42 -56.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -46.08 -49.39 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -64.37 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 24' ' ' ALA . 14.7 mt -41.7 -64.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 26.2 tttt -35.53 -50.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.41 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LEU . 2.2 mptp? -65.7 -42.02 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 68' ' ' ILE . 11.5 t80 -61.36 -54.23 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.87 -56.89 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -57.3 -17.59 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.881 ' O ' HD13 ' A' ' 68' ' ' ILE . 81.3 mt -103.99 22.0 15.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.9 mm -113.23 -36.63 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.41 -37.88 56.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.88 -47.74 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 12.2 m-85 -103.88 41.53 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.0 t-80 -95.83 139.93 22.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.4 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -93.74 47.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.5 m -163.78 141.09 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.0 -51.12 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 50' ' ' SER . 13.6 m -64.87 136.27 96.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.47 -39.43 97.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.9 m -67.42 -47.2 70.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 ttm -50.41 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -39.58 -55.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.78 -43.51 90.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.88 -37.26 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -60.27 -56.12 25.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -46.19 -50.84 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE3' ' CE2' ' A' ' 44' ' ' TYR . 13.3 mmmt -57.25 -66.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -39.71 -54.29 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.43 -47.78 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.78 98.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.9 mt -59.55 -52.87 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.54 -13.85 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -93.76 -38.59 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -62.6 -15.4 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 27.4 t-105 -96.99 -14.91 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.61 ' C ' HD12 ' A' ' 74' ' ' ILE . 45.3 mtpt -79.54 -13.91 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 73' ' ' LYS . 2.1 mp -116.23 -45.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -85.17 -16.47 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.4 27.47 9.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 3.3 m-20 -139.67 -179.39 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -102.04 -39.58 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -75.47 -69.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.8 p -51.99 -44.98 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 19.9 tttt -58.23 -30.51 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -80.04 -30.46 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -77.97 -54.84 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -52.36 -34.59 48.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -50.29 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.48 -36.71 83.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -67.59 -54.29 21.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.83 140.94 56.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 p -156.05 177.22 11.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.32 -174.13 50.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 139.4 40.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -96.33 162.1 13.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t -91.73 -58.56 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 m -114.66 115.91 27.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -93.08 170.84 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.53 68.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -134.66 121.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -108.27 174.39 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.41 77.19 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -47.12 141.68 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.05 168.08 20.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -117.25 -36.19 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -132.16 95.6 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.87 -176.42 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -81.16 -6.55 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -104.64 -55.15 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -45.87 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HD2' ' CH2' ' A' ' 18' ' ' TRP . 24.4 ttmt -71.11 131.2 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -82.94 98.63 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 16' ' ' LYS . 61.5 m95 -76.34 -36.33 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.603 ' CD1' HD13 ' A' ' 75' ' ' LEU . 23.1 m-85 -61.48 -13.97 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -97.55 -34.54 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.45 -32.91 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 40.0 mt -96.8 10.72 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.01 40.24 35.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.51 179.51 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -110.69 156.19 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.81 -0.21 6.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 m -123.78 15.6 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.6 149.98 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -78.13 175.83 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 77' ' ' ASN . 2.1 tpt -74.32 -39.94 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -8.04 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.88 -47.85 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.5 -44.62 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 15.5 ttpt -55.05 -52.73 62.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -47.18 -46.97 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -47.17 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.3 t80 -57.46 -53.09 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.49 -59.65 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -55.89 -17.86 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.834 ' O ' HD13 ' A' ' 68' ' ' ILE . 84.7 mt -102.69 18.53 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.6 mm -110.94 -24.33 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -4.27 24.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.72 -23.26 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 68' ' ' ILE . 72.8 m-85 -121.99 -1.54 9.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -52.2 139.92 34.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.6 Cg_endo -69.73 -42.9 3.03 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.4 -43.53 85.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 29.0 mmtt -56.93 -27.83 61.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 58' ' ' MET . 74.2 mm-40 -45.77 171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 m -157.34 153.27 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.64 -21.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -54.2 -57.26 11.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.84 138.38 95.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -165.04 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.87 -37.73 16.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.13 -42.8 99.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.7 m -61.85 -38.83 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.406 ' CE ' ' HG3' ' A' ' 49' ' ' GLN . 6.3 tpt -50.81 -45.4 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.71 -54.14 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.2 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.49 -42.65 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.0 tpt -56.18 -70.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -40.32 -46.13 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CB ' ' CD1' ' A' ' 44' ' ' TYR . 33.5 mmtm -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 68' ' ' ILE . 68.4 t80 -54.55 -65.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 66' ' ' ILE . 3.0 mp -41.77 -44.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.81 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.834 HD13 ' O ' ' A' ' 40' ' ' LEU . 18.2 mt -58.8 -45.66 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 13.1 t0 -63.61 -9.18 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' OE1' HG22 ' A' ' 66' ' ' ILE . 48.8 mt-30 -101.51 -41.3 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -53.67 -18.83 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.552 ' CH2' ' HG3' ' A' ' 34' ' ' LYS . 45.2 t-105 -83.39 -45.08 14.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -45.73 -23.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 mp -107.6 -57.34 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 19' ' ' TYR . 41.2 mt -87.52 26.68 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.54 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -104.09 -6.97 41.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' C ' ' SD ' ' A' ' 30' ' ' MET . 61.2 t30 -135.53 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.54 -45.51 79.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.33 -70.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.3 p -45.68 -46.37 14.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -57.04 -31.91 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -78.64 -53.05 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 86' ' ' LEU . 9.5 ptpt -56.63 -37.09 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -50.91 -36.31 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 83' ' ' LYS . 7.9 mt -71.39 -45.42 62.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -54.85 -38.29 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -42.97 157.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 m -88.95 -44.05 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.51 155.46 6.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -42.27 3.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.328 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.1 m -71.05 107.65 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -99.44 164.91 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -62.99 160.02 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -148.93 153.27 37.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 -105.06 1.29 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 62.12 27.16 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -59.64 148.9 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.79 -39.84 1.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.32 104.54 10.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . . . -111.33 161.52 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 tp -81.15 -54.26 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.12 -62.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HG2' ' HB3' ' A' ' 9' ' ' ALA . 12.5 mm-40 53.32 52.21 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -132.92 -50.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' LYS . 52.3 mt -71.16 -54.16 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -38.03 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' LEU . 2.5 ttmp? -83.57 139.64 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -88.78 126.95 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 47.6 m95 -97.74 -44.4 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.1 m-85 -56.33 -13.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -97.47 -38.83 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 18' ' ' TRP . 92.8 mt -66.78 -33.92 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 75' ' ' LEU . 38.4 mt -94.34 13.39 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 45.19 15.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -126.8 -179.91 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.98 157.91 37.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 -15.24 37.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.2 m -87.75 -13.7 41.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 174.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.19 -175.06 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -56.16 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 m -51.25 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -47.79 -60.42 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 75' ' ' LEU . 27.1 mt -46.8 -44.1 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -58.49 -46.63 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.64 -44.56 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 1.7 mppt? -68.88 -46.26 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 41' ' ' ILE . 34.8 t80 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.22 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 pttt -53.64 -18.3 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -102.1 21.74 14.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 37' ' ' TYR . 9.6 mm -114.93 -27.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.14 -7.22 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 39' ' ' LYS . 19.3 mt -84.64 -22.87 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -124.97 8.8 8.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 18.7 t-80 -61.54 139.71 95.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.78 -43.33 2.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.17 -30.91 71.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -89.17 46.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -119.05 -177.75 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.776 ' O ' HG22 ' A' ' 53' ' ' VAL . 11.5 t -161.99 138.74 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' OD1' HG13 ' A' ' 53' ' ' VAL . 4.9 p30 -46.08 -39.95 10.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -72.79 138.92 79.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.59 12.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.29 72.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.73 -39.41 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -64.37 -38.75 92.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -57.39 -51.1 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.85 -46.54 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.62 -40.15 84.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 5.5 ttt -62.97 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' MET . 93.4 mm-40 -34.13 -36.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' MET . 3.0 mmpt? -73.16 -54.83 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 68' ' ' ILE . 81.1 t80 -47.21 -61.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.539 ' H ' HD12 ' A' ' 66' ' ' ILE . 2.4 mp -40.34 -57.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.12 -52.99 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.3 mt -48.17 -48.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.76 -20.05 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 34.9 mt-30 -89.51 -56.96 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -42.41 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' GLY . 49.9 t-105 -81.98 -37.48 26.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' GLN . 45.3 mttm -49.44 -33.14 13.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.3 mp -94.6 -49.67 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 22' ' ' LEU . 22.3 mt -83.24 19.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -96.74 -40.64 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.6 167.0 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -81.61 -28.42 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.4 -59.89 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.466 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 43.9 p -54.76 -41.15 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -61.59 -35.14 77.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 86' ' ' LEU . 29.1 tttp -70.84 -48.18 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 37.5 mtmt -56.51 -54.4 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -47.42 -46.23 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.82 -48.34 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.71 -36.33 83.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.15 -57.95 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 1.5 ptm85 -54.42 149.52 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -114.82 172.82 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.43 160.13 9.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -47.05 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 t -169.09 150.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.5 m -72.02 -62.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -72.65 115.58 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.72 54.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 38.03 47.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 55.26 48.56 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.6 -179.27 49.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptm -87.46 164.63 16.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.35 146.0 51.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.54 -46.53 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.26 48.66 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.21 89.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.8 p -140.22 175.29 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 mt 64.69 31.81 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -122.44 -50.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -71.84 138.34 48.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.51 117.41 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' HD12 ' A' ' 21' ' ' ILE . 34.9 m95 -94.68 -36.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 24.2 m-85 -62.62 -13.29 29.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.16 -38.86 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.596 HD12 ' CE3' ' A' ' 18' ' ' TRP . 72.5 mt -64.15 -38.35 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 14.6 mt -92.94 14.33 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.32 43.17 13.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.14 -176.33 3.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.16 154.63 58.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.75 -2.47 10.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.7 p -105.34 -6.15 19.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.07 -179.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -123.93 172.66 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CE ' ' O ' ' A' ' 76' ' ' GLY . 45.5 tpp -52.28 -44.15 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -57.18 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.81 -65.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.33 -62.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -38.3 -45.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -43.44 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.635 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.6 t80 -59.67 -53.58 56.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -51.0 -59.23 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 43' ' ' LEU . 13.5 ptmt -54.47 -21.45 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -100.55 20.73 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.2 mm -113.54 -41.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -84.56 -9.22 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 42' ' ' LEU . 30.2 mt -81.25 -23.05 38.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HE2' ' A' ' 64' ' ' LYS . 26.1 m-85 -126.94 19.57 7.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 t-80 -71.65 140.11 83.96 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.52 -41.58 84.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -77.45 46.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -111.13 -178.09 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.6 t -163.13 133.67 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -35.42 -38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -38.22 -51.35 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -65.24 138.24 97.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -170.43 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -37.74 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.32 -41.22 92.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -65.45 -36.17 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.21 -45.14 94.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.28 -37.15 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -51.62 -46.19 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.5 tpt -54.4 -50.6 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -48.9 -57.03 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' PHE . 22.2 mmmt -52.47 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 68' ' ' ILE . 75.6 t80 -35.2 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.9 mt -53.09 -56.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -43.52 87.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -57.05 -41.85 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.81 -15.16 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -94.33 -36.34 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.01 -19.85 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 41.6 t-105 -90.73 -30.35 17.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.65 -31.53 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.41 -40.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 18' ' ' TRP . 68.3 mt -93.31 19.36 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' O ' ' CE ' ' A' ' 30' ' ' MET . . . -95.11 -53.08 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -87.29 162.19 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.6 -29.85 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.21 -50.89 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -63.48 -41.6 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 81' ' ' LYS . 1.3 ttmp? -68.39 -31.65 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.5 tttt -69.93 -42.85 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -65.02 -57.35 8.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLN . 41.1 t80 -39.49 -60.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.5 t70 -36.44 -49.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -62.19 -41.97 98.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' TYR . 8.8 mm100 -61.01 -57.88 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.2 137.38 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.5 122.02 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -141.21 -165.82 10.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.91 13.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.299 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 t -48.41 153.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.2 t -115.77 88.66 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -100.22 40.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -105.22 161.86 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 75.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t 64.0 47.08 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -120.02 79.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.0 173.93 13.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -44.34 166.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.43 130.42 43.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.14 -48.22 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -108.85 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.6 45.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -134.95 178.02 7.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt 48.98 41.38 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.93 -49.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 21' ' ' ILE . 19.5 tttp -71.84 143.18 49.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -75.19 97.48 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.554 ' CE3' HD12 ' A' ' 21' ' ' ILE . 42.2 m95 -76.75 -33.31 58.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 26' ' ' PRO . 47.0 m-85 -63.21 -14.41 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -43.04 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.554 HD12 ' CE3' ' A' ' 18' ' ' TRP . 91.6 mt -56.85 -36.1 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 37.3 mt -94.12 0.05 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.26 41.98 99.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -120.5 -177.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -108.16 151.21 41.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.8 -2.34 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.5 22.56 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.69 178.07 7.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -111.31 -176.41 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.411 ' HE1' ' O ' ' A' ' 75' ' ' LEU . 7.8 mmt -64.66 -55.62 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 t -47.29 -51.84 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' CB ' ' A' ' 24' ' ' ALA . 66.5 mt -41.2 -47.83 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -58.11 -55.42 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -43.68 -52.11 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -60.39 -58.74 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 66.1 t80 -41.15 -58.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -50.91 -38.79 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -72.17 -19.89 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 61.1 mt -102.18 10.07 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.624 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 12.1 mm -102.95 -22.13 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -3.99 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -88.2 -23.11 23.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 85.0 m-85 -124.15 3.13 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.3 t-80 -55.13 140.34 62.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.8 Cg_endo -69.77 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -60.56 -41.19 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.54 49.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -123.81 -175.95 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.8 m -174.07 153.87 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.61 -25.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -46.72 -49.07 20.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 50' ' ' SER . 18.8 m -74.48 138.05 74.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.37 24.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.48 92.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.47 -34.98 35.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -72.68 -33.21 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.74 -50.58 71.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.5 -53.43 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.5 -39.67 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -49.44 -38.86 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' GLN . 6.4 tpt -62.22 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' MET . 36.6 mm-40 -36.7 -49.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 18.9 mmmt -61.85 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.541 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.3 t80 -39.1 -42.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -60.9 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.82 -46.32 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 65' ' ' PHE . 18.2 mt -56.06 -38.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -68.51 -15.39 63.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -94.16 -44.12 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.41 -30.84 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.526 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 27.4 t-105 -82.56 -31.26 29.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.64 -32.69 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 74' ' ' ILE . 5.3 mm -91.2 -50.63 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' O ' ' HE1' ' A' ' 30' ' ' MET . 31.6 mt -75.79 -53.56 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.526 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.95 -32.12 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.38 -177.11 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.04 -37.17 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -75.61 -51.4 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.1 p -72.98 -22.28 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -77.61 -37.36 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -73.63 -40.58 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD12 ' A' ' 86' ' ' LEU . 10.7 mtpt -69.73 -42.97 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -46.9 -59.33 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -42.28 -42.28 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.8 mt -70.86 -42.87 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.98 -42.35 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -73.32 0.93 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -128.92 123.61 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.43 146.17 17.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.74 6.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -111.45 158.72 18.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -51.26 109.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -58.35 124.12 18.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -88.03 129.43 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.97 -154.94 8.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -80.17 140.83 36.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -96.36 -49.11 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.64 -101.17 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mmt 49.32 47.8 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.95 40.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 10' ' ' LEU . 6.7 mp 42.97 36.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 53.09 54.95 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -62.44 151.71 36.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.9 t -48.03 -26.98 2.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 87' ' ' GLN . 7.6 mt -86.02 -56.07 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -41.46 -32.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.33 153.74 43.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.64 103.65 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 45.0 m95 -76.32 -41.71 47.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 42.8 m-85 -58.71 -14.07 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.0 m -97.45 -36.52 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.4 -38.89 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 75' ' ' LEU . 24.0 mt -90.21 9.72 27.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.38 42.5 50.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.65 -176.42 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.11 153.06 43.43 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.74 -13.49 34.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -115.46 30.77 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.13 -176.46 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.68 160.11 18.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.04 -54.33 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -54.4 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.27 -57.0 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 mt -53.57 -51.46 62.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -54.39 -44.91 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -52.85 -47.49 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.5 mptp? -67.89 -35.14 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.22 -49.09 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -59.06 -55.01 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' ' HG ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.32 -12.49 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD13 ' A' ' 68' ' ' ILE . 38.7 mt -105.36 11.71 32.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.97 -22.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.51 -7.68 22.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.05 -23.23 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -123.31 4.68 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.6 t-80 -56.23 140.04 72.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.68 -47.56 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.02 -34.21 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -82.89 53.2 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -132.92 178.9 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.673 ' O ' HG22 ' A' ' 53' ' ' VAL . 16.0 t -166.68 153.62 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' ASP . . . -44.59 -34.8 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -36.76 -54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 50' ' ' SER . 25.3 m -65.06 140.07 97.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.74 15.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -20.07 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -26.01 57.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.3 m -73.42 -40.84 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 2.9 tpt -54.28 -55.72 25.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -43.32 -63.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -38.94 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.74 -41.05 56.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 66' ' ' ILE . 4.8 tpt -68.7 -57.86 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -42.59 -42.55 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -69.46 -66.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.5 t80 -40.63 -46.88 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 42.2 mt -57.17 -58.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -52.11 -48.4 64.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 40' ' ' LEU . 23.3 mt -52.79 -44.36 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.46 -9.66 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.75 -49.97 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -48.3 -26.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' GLY . 47.9 t-105 -83.54 -27.14 29.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' HD13 ' A' ' 74' ' ' ILE . 4.6 mmpt? -64.79 -16.51 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 73' ' ' LYS . 3.8 mm -107.82 -39.79 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 22' ' ' LEU . 39.6 mt -97.32 7.92 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -78.65 -46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -95.69 151.27 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.14 -35.79 81.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.9 -56.38 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.464 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 40.0 p -58.81 -32.02 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -70.31 -40.37 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -72.43 -27.37 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 38.6 mtmt -76.2 -43.23 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -65.67 -46.59 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.74 -27.58 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.52 -30.27 52.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.8 mm100 -73.07 -45.82 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -41.8 130.72 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 m -60.75 -48.44 81.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.81 166.86 14.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 98.26 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -155.05 166.42 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -77.19 106.06 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -72.95 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -76.72 170.29 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.81 87.98 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -155.71 118.09 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 m -51.4 -55.14 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.67 94.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.51 113.25 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . . . -162.43 167.15 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.6 pt? -76.46 -22.35 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.83 -40.45 97.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' THR . 2.6 mp0 -70.71 -64.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' GLN . 24.6 p -35.37 -52.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.8 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -38.35 -40.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 18' ' ' TRP . 20.9 mmtp -59.51 103.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.1 86.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 32.2 m95 -63.87 -39.3 93.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.2 m-85 -61.81 -15.27 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.88 -40.61 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 67' ' ' GLU . 51.9 mt -62.96 -36.42 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD2' HG23 ' A' ' 68' ' ' ILE . 54.6 mt -91.25 3.9 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 40.03 83.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HB2' ' HE3' ' A' ' 36' ' ' LYS . . . -120.88 -178.04 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -109.84 153.25 43.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.848 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.1 Cg_endo -69.79 -10.11 27.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -99.45 -6.57 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . . . -67.76 175.45 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -127.33 174.07 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -47.31 23.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -52.09 -59.92 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.15 -67.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.804 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -39.68 -44.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -54.23 -49.86 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.63 -47.06 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -63.89 -36.2 83.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.839 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.5 t80 -67.52 -56.49 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -49.57 -55.08 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.669 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 ptmt -58.29 -22.05 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD13 ' A' ' 68' ' ' ILE . 88.3 mt -101.53 20.6 15.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.839 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.7 mm -111.27 -35.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -92.07 -6.1 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 39' ' ' LYS . 20.8 mt -85.03 -22.26 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 64' ' ' LYS . 75.2 m-85 -124.65 2.62 8.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -55.04 140.16 62.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.71 -39.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.406 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.24 -47.31 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 30.3 mmtt -52.91 -30.95 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 162.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' ASP . 10.6 t -153.06 144.98 23.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.9 t0 -50.47 -54.88 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' SER . 11.6 m -67.91 138.95 92.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.05 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.65 -32.14 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.65 -47.9 82.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -56.9 -42.27 79.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' GLU . 28.4 tpp -44.76 -60.24 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' MET . 33.2 tt0 -37.04 -57.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.5 -45.94 92.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.4 m -50.04 -34.83 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.1 tpt -69.2 -70.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' MET . 89.4 mm-40 -36.77 -31.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 44' ' ' TYR . 2.0 mmpt? -69.9 -62.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -44.65 -57.47 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 66' ' ' ILE . 2.1 mp -46.97 -55.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' HG21 ' A' ' 21' ' ' ILE . 31.6 mt-10 -54.48 -51.83 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.9 mt -53.33 -60.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.11 -26.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -86.73 -54.6 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.552 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.6 -25.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' GLY . 25.7 t-105 -80.69 -38.59 28.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' GLN . 43.2 mtpt -48.4 -37.25 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.7 mp -93.26 -50.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 19' ' ' TYR . 17.8 mt -85.34 25.83 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -118.63 -36.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' GLU . 44.9 t-20 -104.57 113.18 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ASN . 1.6 mp0 -34.53 -48.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -50.4 -61.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.1 p -59.73 -57.25 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -41.13 -44.66 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -61.1 -59.03 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.31 -43.36 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.76 -59.74 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -44.15 -36.43 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.31 -57.61 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -48.83 -40.99 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -37.55 -58.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.4 m -75.19 152.96 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.32 -170.38 29.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 127.52 14.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -77.77 83.61 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -149.5 177.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -110.97 86.49 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -122.49 150.06 43.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.77 92.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -142.97 112.67 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 p -80.92 42.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.29 -85.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtt 63.05 50.44 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.47 116.13 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.98 -37.74 58.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.72 109.56 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -148.02 172.8 13.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 p -127.71 -57.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -82.03 -59.07 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.12 -43.4 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -66.92 91.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.39 130.69 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 68.4 m95 -97.77 -42.65 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 37.7 m-85 -56.57 -13.22 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.38 -39.99 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.478 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.9 mt -62.36 -35.23 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.91 7.44 44.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.02 43.52 61.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -177.02 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.54 153.61 42.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.743 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.4 Cg_endo -69.76 -0.78 7.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -125.8 29.97 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.92 171.51 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' MET . 59.9 m-80 -104.11 151.61 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -36.19 -52.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' ASP . 30.0 t -54.67 -68.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.7 m-20 -35.7 -61.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.424 HD22 HD13 ' A' ' 75' ' ' LEU . 37.6 mt -47.01 -55.92 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -51.52 -53.38 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -47.03 -48.38 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -63.07 -54.79 32.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.9 t80 -49.34 -59.66 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.53 -38.94 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' ILE . 76.8 mt -97.58 16.66 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 5.9 mm -108.43 -26.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.49 -32.83 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.67 -44.93 92.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 13.5 m-85 -103.07 31.75 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 24.0 t-80 -84.93 139.4 37.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.73 -41.3 4.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.92 -35.2 80.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -66.71 -30.64 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.15 159.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m -169.34 165.74 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.27 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.2 138.42 97.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.47 3.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.5 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.27 -58.74 11.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' MET . 91.5 m -39.49 -56.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 10.2 tpt -35.75 -56.55 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.99 -43.32 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' THR . 6.0 mm-40 -66.81 -44.25 81.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.97 -54.2 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.9 tpt -42.22 -61.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -46.11 -55.05 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 44' ' ' TYR . 13.4 mmmt -55.97 -62.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HA ' HD12 ' A' ' 68' ' ' ILE . 83.7 t80 -42.48 -44.85 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.22 -57.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -46.78 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 40' ' ' LEU . 37.6 mt -56.22 -50.16 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -17.2 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 44.5 mt-30 -90.5 -51.31 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.64 -30.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 48.9 t-105 -76.85 -36.12 57.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' GLN . 28.7 mmmt -49.73 -33.4 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 74' ' ' ILE . 4.0 mp -96.06 -72.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 HD22 ' A' ' 33' ' ' LEU . 73.1 mt -52.59 -37.71 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -56.34 -39.76 83.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -79.47 176.59 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -103.81 -43.23 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.69 -57.37 9.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 83' ' ' LYS . 40.7 p -61.82 -54.08 47.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -37.85 -40.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 17.3 ttpt -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.2 mtmm -57.02 -46.94 81.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 87' ' ' GLN . 50.0 t80 -53.08 -60.36 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -39.86 -49.82 2.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.65 -36.86 85.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 84' ' ' TYR . 10.9 mm100 -65.2 -58.34 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -51.97 127.16 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -81.29 -8.98 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.49 156.15 10.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 140.34 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 p 42.55 41.48 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 71.22 43.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -73.55 118.33 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.16 67.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -117.61 135.67 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -172.45 155.36 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.67 -113.03 3.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttt -50.69 142.75 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.56 160.88 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.58 -48.19 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.647 ' HB3' HD12 ' A' ' 14' ' ' LEU . 21.3 mt-10 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 13' ' ' THR . 39.8 mt-30 -40.9 -57.52 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' GLN . 42.6 p -34.61 -66.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 11' ' ' GLU . 10.0 mt -56.41 -50.95 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -43.15 -37.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HE2' ' CH2' ' A' ' 18' ' ' TRP . 3.6 ttpm? -75.93 115.46 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.93 129.74 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 21' ' ' ILE . 60.9 m95 -103.51 -38.74 7.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 34.1 m-85 -62.79 -13.52 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -97.1 -36.99 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.58 HD12 ' CE3' ' A' ' 18' ' ' TRP . 94.9 mt -63.94 -38.42 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 71' ' ' ALA . 15.4 mt -92.09 3.31 55.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.08 43.78 96.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.94 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -107.58 153.5 41.34 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.75 -0.48 6.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.74 2.294 . . . . 0.0 112.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -123.24 26.71 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.0 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -108.14 158.43 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.3 OUTLIER -41.9 -51.36 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -55.07 -55.29 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.25 -62.66 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.63 -49.75 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 72' ' ' TRP . 16.9 tttt -51.05 -57.74 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -44.1 -47.61 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -65.03 -47.12 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 75.0 t80 -54.42 -60.21 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.57 -61.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -55.39 -21.68 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.1 mt -101.38 19.73 17.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 9.2 mm -110.04 -33.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -94.56 -8.7 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 40' ' ' LEU . 22.7 mt -80.23 -22.71 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 50.4 m-85 -125.45 13.87 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.55 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 9.7 t-80 -75.43 141.16 72.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.3 Cg_endo -69.8 -41.08 4.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.46 -43.01 82.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HZ2' ' CE1' ' A' ' 45' ' ' HIS . 6.9 mptt -75.68 48.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -119.05 -179.63 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 53' ' ' VAL . 3.0 m -159.94 141.17 12.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.81 -21.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.84 -53.25 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 50' ' ' SER . 12.9 m -62.73 139.97 97.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.55 10.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.84 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.01 -30.23 72.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.1 m -73.01 -52.09 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -40.04 -51.46 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.37 -50.72 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -59.42 -38.65 81.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.31 -51.54 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -48.83 -60.8 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -40.95 -59.47 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 19.1 mmmt -56.11 -68.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.2 t80 -35.09 -42.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.69 -51.73 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -59.16 -41.56 88.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 40' ' ' LEU . 32.1 mt -60.29 -59.95 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -46.59 -22.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -84.07 -55.87 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.71 -34.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.547 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 36.1 t-105 -67.85 -42.45 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 74' ' ' ILE . 23.1 mtpp -45.86 -34.2 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -102.63 -57.03 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.7 mt -84.52 33.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.96 -32.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -102.97 152.02 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.18 -22.98 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -84.65 -74.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 p -44.9 -48.01 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -48.17 -45.48 33.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -63.82 -47.39 81.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.52 -55.82 12.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -40.75 -59.69 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.23 -61.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.9 mm? -55.36 -48.3 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' ARG . 57.3 mm-40 -48.12 -57.79 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' GLN . 12.3 mtm105 -34.51 130.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -130.76 118.81 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -123.57 -158.17 10.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.682 2.254 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -169.75 105.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.8 p -41.98 130.73 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -70.71 91.27 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -162.93 142.88 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -75.27 74.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 64.9 p -36.81 132.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -78.49 114.74 17.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -161.28 107.73 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 21.8 mtm 34.84 47.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.02 148.08 46.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 11' ' ' GLU . 1.2 pt? -75.72 -24.5 56.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 1.3 pp20? -132.63 123.06 25.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -120.06 44.96 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.2 p -98.53 -46.34 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.54 -50.49 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -44.58 -45.42 9.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -63.3 145.79 54.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.28 102.12 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 70' ' ' GLN . 43.1 m95 -75.39 -31.28 60.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 26.7 m-85 -67.66 -14.48 62.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.53 -37.58 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' CE3' ' A' ' 18' ' ' TRP . 59.1 mt -66.53 -33.4 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 75' ' ' LEU . 31.5 mt -97.61 7.86 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.48 40.62 54.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -118.74 175.89 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -107.26 155.61 39.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.77 -3.0 11.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -123.79 3.86 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . . . -58.07 167.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -98.01 151.53 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.4 tpt -43.26 -52.15 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -52.7 -51.18 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.63 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 24' ' ' ALA . 65.3 mt -40.36 -63.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -45.6 -58.48 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -43.99 -44.79 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -52.97 23.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CE1' HD11 ' A' ' 41' ' ' ILE . 30.9 t80 -49.78 -53.59 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -54.84 -40.55 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 tttt -70.19 -15.38 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.808 ' O ' HD13 ' A' ' 68' ' ' ILE . 45.8 mt -105.45 8.79 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 37' ' ' TYR . 14.9 mm -102.67 -21.16 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -2.87 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 39' ' ' LYS . 27.2 mt -88.52 -23.33 23.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 88.5 m-85 -123.82 -0.48 8.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 t-80 -50.2 140.17 17.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.27 -46.41 73.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 37.2 mmtt -54.39 -26.06 28.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -45.94 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.6 m -163.97 154.4 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.52 -26.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -48.02 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -65.25 139.98 97.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 -30.23 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.56 -51.62 30.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 m -53.0 -37.36 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.3 mmm -50.86 -53.03 35.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.46 -45.93 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -22.55 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.7 t -66.84 -38.93 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -62.54 -56.05 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -46.45 -57.73 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 19.4 mmmt -53.87 -59.41 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 68' ' ' ILE . 77.6 t80 -46.62 -56.28 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.7 mt -46.13 -47.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.73 -41.87 97.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 40' ' ' LEU . 24.9 mt -60.18 -44.4 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.13 -15.88 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.576 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 68.6 mt-30 -93.53 -36.25 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 18' ' ' TRP . . . -66.33 -9.61 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.579 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 44.7 t-105 -97.6 -26.42 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.53 -19.6 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.14 -46.56 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 22' ' ' LEU . 43.0 mt -93.59 26.78 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -27.09 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -105.66 121.46 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -42.98 -35.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.38 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -56.41 -61.75 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -39.03 -35.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.5 tmtt? -72.17 -50.12 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -59.77 -44.93 93.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' ASP . 19.1 t80 -48.36 -67.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' TYR . 8.2 t0 -35.71 -48.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -64.71 -50.97 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -52.8 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 14.9 mtp-105 -39.28 123.06 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.8 m -110.0 -58.91 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.38 178.16 30.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.68 63.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.4 m -133.2 143.37 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t -162.5 147.93 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -164.35 175.14 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -173.9 122.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 84.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -109.66 136.9 48.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -108.66 94.37 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.69 112.9 3.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 ptp -117.75 134.67 54.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.88 169.47 10.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 10' ' ' LEU . 4.2 pp -122.73 -19.72 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -128.96 75.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -128.02 163.24 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.7 p -123.69 -25.5 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.96 -48.78 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -41.95 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -51.66 157.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.65 86.87 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CE3' HD12 ' A' ' 21' ' ' ILE . 11.6 m95 -65.43 -41.48 93.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 21.5 m-85 -60.1 -14.67 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -101.16 -40.9 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.802 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.509 HD12 ' CE3' ' A' ' 18' ' ' TRP . 29.1 mt -65.74 -21.91 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 75' ' ' LEU . 51.6 mt -107.7 11.58 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.1 42.77 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.78 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.3 156.24 40.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.72 -4.02 13.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -120.71 29.04 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.49 170.76 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.056 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -110.43 152.73 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 mmm -40.55 -49.36 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.7 m -51.79 -51.78 53.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.38 -60.76 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 75' ' ' LEU . 21.8 mt -45.66 -41.28 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' CH2' ' A' ' 72' ' ' TRP . 27.5 tttt -65.13 -45.07 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.45 -45.7 84.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.53 -37.41 86.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 4.4 t80 -66.8 -61.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 37.2 mt-30 -52.48 -29.65 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 4.2 tptt -82.24 -25.07 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.778 ' O ' HD13 ' A' ' 68' ' ' ILE . 67.4 mt -95.72 16.19 18.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mm -105.92 -33.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -74.83 -31.09 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 22.7 mt -67.26 -24.83 65.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 29.4 m-85 -107.03 -27.29 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t-80 -38.11 140.26 0.58 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.8 -43.81 2.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.16 -27.13 64.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.9 mmtt -86.69 45.58 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -125.06 174.02 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.2 t -159.13 153.74 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.96 -25.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -49.85 -56.25 11.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' SER . 5.0 m -64.93 138.97 97.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 176.46 6.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -36.32 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.4 -46.69 93.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.2 m -51.49 -36.52 44.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' CYS . 34.5 tpp -65.6 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.31 -42.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -73.84 -40.27 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.2 m -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.65 -62.26 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.95 -37.79 15.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 13.1 mmtp -75.23 -57.79 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' HA ' HD12 ' A' ' 68' ' ' ILE . 43.0 t80 -44.99 -41.38 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 65.8 mt -65.93 -44.72 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.73 -39.02 92.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.2 mt -61.82 -49.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 47.4 t0 -55.89 -18.24 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -93.77 -50.21 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -45.02 -25.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 39.1 t-105 -90.94 -27.53 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' GLN . 18.6 mtpp -59.28 -46.45 88.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.93 -48.05 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 22' ' ' LEU . 9.8 mt -57.09 -61.86 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.42 -40.46 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 48.4 t-20 -74.97 121.87 22.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.48 -23.8 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -69.84 -58.97 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -72.42 -46.33 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 12.9 tttp -47.28 -28.71 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -71.06 -48.91 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -67.11 -36.31 81.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.86 -64.29 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.11 -53.79 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.04 -45.29 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 87' ' ' GLN . 3.7 mm-40 -54.51 -47.85 72.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' GLN . 33.3 mtp85 -35.26 -55.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' GLY . 94.2 p -74.12 101.46 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' SER . . . -34.42 144.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.78 51.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.6 m -143.31 113.16 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.5 t -105.93 95.45 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -112.16 117.93 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -71.87 -56.12 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.86 176.91 14.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -73.35 161.32 30.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -166.77 154.17 9.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.34 -143.2 3.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpt -164.83 128.57 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.76 159.51 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.774 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.5 pt? -109.75 -40.16 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 72.0 mm-40 -154.74 118.24 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -136.29 161.4 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 t -73.61 -32.63 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD22 ' HG3' ' A' ' 87' ' ' GLN . 15.3 mt -88.05 -47.05 8.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -55.36 -28.18 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -82.7 153.53 25.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 13.5 m-20 -104.14 129.76 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 41.3 m95 -100.55 -37.9 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 34.7 m-85 -60.04 -13.35 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -99.4 -38.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.3 mt -64.33 -37.42 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 75' ' ' LEU . 32.4 mt -92.23 7.45 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.79 42.97 53.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.477 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -119.28 -175.13 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -111.22 150.81 42.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 -0.17 6.56 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -130.15 25.48 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.28 164.16 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' MET . 54.1 m-20 -89.0 142.69 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 tpp -37.26 -46.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.97 -53.36 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.44 -58.06 7.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.3 mt -48.87 -42.49 36.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.93 -44.11 97.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -56.42 -47.84 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -48.06 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 41' ' ' ILE . 45.8 t80 -52.71 -62.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.92 -45.13 50.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -67.49 -27.47 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 68' ' ' ILE . 91.6 mt -97.01 15.88 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 ' CE1' ' A' ' 37' ' ' TYR . 2.8 mm -106.54 -30.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -78.71 -31.94 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.6 -37.05 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 37.8 m-85 -110.54 33.16 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 10.9 t-80 -94.07 140.35 22.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.82 -45.92 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -67.82 -46.53 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 20.1 mmtm -58.88 -11.54 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -52.25 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.0 m -171.51 157.93 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.71 -10.12 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -43.19 78.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 50' ' ' SER . 19.3 m -70.67 139.05 85.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.665 0.745 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.53 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.82 -2.19 58.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.8 -42.57 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -58.02 -48.3 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.3 tpt -42.18 -62.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -44.35 -41.75 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.88 -40.88 83.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 m -55.21 -16.07 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -80.88 -56.64 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -53.05 -29.99 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -79.98 -56.17 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -47.21 -48.42 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.82 -58.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.01 -50.83 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.0 mt -53.86 -39.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.93 -10.24 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.66 -40.98 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -57.19 -17.99 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 51.6 t-105 -96.3 -38.36 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -47.87 -40.27 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.83 -54.51 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 22' ' ' LEU . 59.0 mt -61.6 -60.5 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -39.02 -33.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -75.85 179.4 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.34 -43.03 3.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.01 -59.7 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.0 p -61.47 -29.29 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 81' ' ' LYS . 11.6 tmtt? -75.44 -36.08 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -72.04 -35.0 69.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -75.53 -51.73 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -52.26 -47.16 65.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -30.59 10.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.67 -38.22 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HG3' HD22 ' A' ' 14' ' ' LEU . 6.4 mm-40 -53.44 -40.76 65.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 11.1 mtm105 -46.45 103.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.2 p -104.17 143.23 33.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.98 156.82 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.9 10.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -46.22 128.97 10.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -38.63 -62.83 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.435 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -42.82 138.27 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -88.21 81.63 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.51 -133.46 2.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -127.92 90.19 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -46.96 131.54 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . -171.81 179.25 43.62 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.4 ptp 37.58 28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -81.05 163.89 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.22 -42.37 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -121.57 49.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -51.33 -29.9 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.47 -47.27 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -42.21 -48.58 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE3' ' CZ3' ' A' ' 18' ' ' TRP . 16.6 ttpt -71.93 142.85 49.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.27 141.49 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' A' ' 21' ' ' ILE . 48.3 m95 -113.93 -44.84 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -56.19 -13.79 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -97.21 -35.9 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.728 HD13 ' HB3' ' A' ' 67' ' ' GLU . 61.9 mt -65.08 -38.83 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 23.8 mt -89.21 6.98 37.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.39 43.68 84.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.96 -176.0 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.34 151.27 45.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.546 0.689 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.38 8.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -109.99 0.32 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -177.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' MET . 50.1 t30 -125.06 150.58 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ASN . 37.0 tpp -37.04 -40.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -61.46 -54.91 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.5 t0 -57.06 -67.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ASP . 11.1 mt -34.45 -55.68 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -45.74 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.83 -44.3 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -65.37 -57.21 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 25.7 t80 -50.56 -52.49 38.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -50.08 -60.0 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.955 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -55.34 -20.07 10.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 68' ' ' ILE . 94.6 mt -96.78 16.57 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 10.1 mm -109.44 -24.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -94.33 -26.23 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.71 -35.69 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -115.38 32.32 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.9 t-80 -85.28 140.16 36.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.77 -45.1 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.81 -45.02 79.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.3 mmtt -55.52 -16.18 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -57.47 166.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -152.96 176.26 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -4.18 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.82 -30.95 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.55 139.51 22.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.65 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 -32.7 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.36 52.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -51.8 -50.6 60.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -40.56 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -45.23 -46.7 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.09 -36.04 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.76 -45.78 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -57.75 -58.94 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -42.3 -41.02 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -72.66 -64.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -40.26 -42.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG22 ' OE1' ' A' ' 70' ' ' GLN . 93.3 mt -57.35 -53.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' A' ' 21' ' ' ILE . 24.5 mt-10 -57.99 -49.22 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.9 mt -57.08 -44.64 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.01 -12.55 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' OE1' HG22 ' A' ' 66' ' ' ILE . 39.8 mt-30 -97.98 -44.9 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -47.68 -28.39 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -82.02 -27.49 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 73' ' ' LYS . 3.7 mmpt? -56.03 -27.41 53.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.8 mp -110.57 -30.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.6 mt -98.76 27.36 4.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.82 -45.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -87.17 130.3 34.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.0 -23.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.99 -70.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -48.8 -35.06 13.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -68.54 -34.15 75.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.12 -34.41 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.5 mtmp? -71.13 -57.5 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 39.7 t80 -45.74 -52.96 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.69 -44.27 37.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.7 mt -64.76 -51.09 64.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.13 -41.09 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -41.11 128.08 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 m -89.97 45.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 105.14 -158.18 16.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.31 59.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -69.12 160.64 30.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -77.72 163.23 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -155.23 108.65 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -120.78 119.87 33.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.82 -103.01 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -47.44 165.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -75.67 -49.62 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.03 62.43 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 tpt -43.18 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 154.72 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.59 -53.06 59.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 2.4 pm0 -166.66 156.8 11.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -156.02 -179.7 8.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HB ' HD11 ' A' ' 74' ' ' ILE . 43.9 p -113.14 -42.76 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' HD1' ' A' ' 84' ' ' TYR . 10.3 mt -86.25 171.3 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.1 36.36 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' ' CH2' ' A' ' 18' ' ' TRP . 19.3 tttp -147.63 120.22 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -59.87 109.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CH2' ' HD3' ' A' ' 16' ' ' LYS . 70.5 m95 -98.61 -37.09 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.471 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 27.2 m-85 -61.86 -13.38 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -98.8 -41.96 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' CE3' ' A' ' 18' ' ' TRP . 61.3 mt -59.61 -34.01 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HG23 ' A' ' 68' ' ' ILE . 56.4 mt -93.93 -17.01 23.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 44.66 12.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.52 171.53 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.81 150.77 41.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.73 -1.14 7.95 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.751 2.301 . . . . 0.0 112.335 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -126.04 35.31 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.71 171.79 7.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -111.4 177.86 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.4 -57.93 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -44.63 -37.74 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -78.53 -74.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 24' ' ' ALA . 29.5 mt -35.73 -45.73 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.537 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 3.0 ttpm? -57.2 -57.07 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -41.18 -45.97 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -39.13 75.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.79 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.2 t80 -60.97 -54.92 39.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.16 -58.88 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -56.84 -16.98 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.2 mt -107.11 21.02 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.79 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.6 mm -111.75 -21.31 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -103.33 -12.39 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 HD23 ' A' ' 40' ' ' LEU . 30.3 mt -78.39 -23.83 46.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 50.9 m-85 -125.0 19.94 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 t-80 -81.06 140.74 49.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.3 Cg_endo -69.76 -39.74 6.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.06 -33.94 59.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 8.4 mmtp -80.16 44.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' OE1' HG21 ' A' ' 53' ' ' VAL . 78.8 mm-40 -112.02 176.82 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.2 m -168.27 148.14 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -33.91 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.9 m-20 -38.01 -63.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG21 ' OE1' ' A' ' 49' ' ' GLN . 32.2 m -68.43 133.38 91.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.648 0.737 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.75 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.74 -40.07 98.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -59.56 -42.11 91.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 tpt -52.76 -43.01 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -52.52 -59.46 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.7 m -48.74 -37.72 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.582 ' HG3' HD11 ' A' ' 66' ' ' ILE . 3.2 tpt -59.98 -71.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' MET . 57.0 mm-40 -35.54 -40.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 44' ' ' TYR . 44.8 mmtm -66.72 -58.29 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -45.68 -58.79 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 62' ' ' MET . 3.7 mp -45.57 -54.4 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.8 -51.89 64.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 17.9 mt -55.49 -60.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -46.27 -26.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' LYS . 79.6 mt-30 -82.83 -52.25 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.29 -35.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 43.0 t-105 -71.52 -37.59 71.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' GLN . 44.5 mtmt -50.9 -36.07 36.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -95.83 -48.3 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.13 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -107.35 -42.71 1.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -102.18 155.93 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.02 -46.2 88.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.48 -58.31 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.3 p -58.4 -55.48 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.48 -44.13 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 86' ' ' LEU . 19.8 tttp -64.08 -54.95 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -54.55 -53.13 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 88' ' ' ARG . 50.3 t80 -45.13 -61.65 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.9 t70 -36.08 -46.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -70.85 -45.39 64.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.76 -45.06 74.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 10.4 mtm105 -40.16 -57.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -96.96 91.76 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.13 163.41 5.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.21 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 t 72.5 43.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.2 t -65.09 -53.05 51.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 m 49.3 46.89 22.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -118.21 130.49 56.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.97 -97.28 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -81.61 127.99 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -140.87 124.29 16.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.32 141.83 3.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -22.19 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.43 149.5 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.0 mp -90.18 74.29 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 39.64 28.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 10' ' ' LEU . 25.9 tp60 -75.5 61.45 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.2 p -135.07 168.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt 61.75 45.1 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -131.68 -47.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 13.7 ttmt -64.65 153.3 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.15 88.73 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.545 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 37.5 m95 -73.29 -42.99 61.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CE1' HD22 ' A' ' 75' ' ' LEU . 22.4 m-85 -56.42 -14.1 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -98.01 -40.07 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 HG21 ' HB3' ' A' ' 67' ' ' GLU . 40.5 mt -65.01 -35.32 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 31.4 mt -95.74 18.84 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.31 41.46 2.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -117.01 -178.96 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -106.02 153.22 40.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.8 -22.04 32.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.5 p -101.42 18.79 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 176.59 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -113.28 178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.08 -46.74 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.62 -59.47 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -47.73 -62.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 75' ' ' LEU . 64.0 mt -46.55 -50.1 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -50.74 -56.62 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.1 -49.08 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -35.2 79.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.78 ' CE1' HD11 ' A' ' 41' ' ' ILE . 48.4 t80 -67.54 -59.99 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -50.69 -40.56 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.824 ' HE2' HD11 ' A' ' 43' ' ' LEU . 12.8 tptm -70.01 -19.87 63.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.745 ' O ' HD13 ' A' ' 68' ' ' ILE . 89.3 mt -104.72 9.02 35.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' CE1' ' A' ' 37' ' ' TYR . 11.4 mm -102.27 -20.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 -6.38 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD11 ' HE2' ' A' ' 39' ' ' LYS . 23.7 mt -84.37 -23.52 30.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.488 ' CE2' ' HG3' ' A' ' 64' ' ' LYS . 50.7 m-85 -124.23 11.61 8.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.1 t-80 -68.96 140.1 91.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.74 -43.31 2.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.633 2.222 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.76 -48.41 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.68 -27.48 40.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' OE1' HG21 ' A' ' 53' ' ' VAL . 72.6 mm-40 -38.72 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.7 m -153.66 149.34 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.91 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' SER . 18.7 t0 -52.06 -61.33 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG21 ' OE1' ' A' ' 49' ' ' GLN . 4.4 m -63.04 137.79 97.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.01 -38.44 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.8 99.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.6 m -60.41 -37.08 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.54 -49.89 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -54.53 -48.57 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.96 -50.04 10.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -40.17 -56.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 3.9 mmpt? -59.7 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.683 ' HA ' HD12 ' A' ' 68' ' ' ILE . 67.9 t80 -37.81 -48.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.97 -62.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' HG21 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -50.21 -47.7 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.5 mt -54.67 -54.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.59 -23.9 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.29 -49.21 8.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.545 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.19 -38.4 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 24.5 t-105 -64.72 -44.99 88.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -44.25 -35.87 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.3 mp -96.16 -56.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 19' ' ' TYR . 46.2 mt -85.87 34.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -110.88 -43.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.5 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -104.67 156.81 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.07 -42.63 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.85 -47.28 85.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.1 p -69.42 -56.78 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -35.06 47.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -68.29 -51.75 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.28 -46.68 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -45.36 -58.75 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -40.25 -48.6 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.88 -45.45 85.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.51 -48.38 79.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' SER . 4.0 ptm85 -68.52 -179.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' ARG . 60.6 p 34.5 45.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.33 146.18 8.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.94 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 t -76.79 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t 52.03 25.94 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 m -64.85 150.13 48.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -107.13 172.13 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.9 67.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -90.98 98.78 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -145.63 127.67 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.53 67.55 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -67.85 121.25 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.16 172.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -34.0 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.11 -22.84 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -84.53 86.47 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.8 p -118.06 -31.97 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -91.6 -58.23 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -46.63 -39.53 11.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -69.48 122.75 19.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.5 141.45 50.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.579 ' CE3' HD12 ' A' ' 21' ' ' ILE . 36.7 m95 -115.17 -43.5 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 40.5 m-85 -57.03 -13.18 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -97.76 -36.77 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.579 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.8 mt -66.44 -34.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 46.6 mt -93.66 2.06 56.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.04 41.17 97.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -122.84 -178.39 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -112.69 155.11 44.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.623 0.725 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.77 -16.48 37.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 p -99.54 4.64 46.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.34 162.12 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -99.1 165.33 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -47.71 -63.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -39.82 -63.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 8.8 m-20 -47.18 -72.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.1 mt -38.61 -47.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.34 -43.9 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' ASP . 76.8 mt-30 -58.48 -45.86 87.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.56 -40.39 95.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 14.0 t80 -61.77 -51.03 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.63 -57.3 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.39 -19.27 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.8 mt -102.19 23.21 11.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mm -114.37 -37.61 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.12 -35.75 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.09 -46.7 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 31.3 m-85 -105.73 40.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -97.3 140.2 21.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.79 -45.71 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.86 -46.96 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.37 -20.5 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -48.25 172.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 t -163.75 170.83 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.89 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -49.3 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.38 135.38 72.58 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.56 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.64 44.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.5 m -52.07 -42.31 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 tpt -45.49 -49.81 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.68 -47.21 70.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.28 -40.55 96.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -52.16 -48.76 64.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.88 -55.62 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.92 -54.18 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -57.2 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -40.93 -63.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.8 mt -39.43 -48.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 21' ' ' ILE . 9.5 mm-40 -63.17 -50.99 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' O ' ' A' ' 40' ' ' LEU . 26.5 mt -55.81 -56.71 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 17.9 t0 -52.57 -16.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' N ' ' OE1' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.14 -52.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -43.18 -37.33 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.593 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 38.5 t-105 -70.79 -32.71 69.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' GLN . 70.0 mmtt -52.07 -40.45 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -97.71 -23.93 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 18.9 mt -108.3 28.68 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -122.67 -34.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -100.13 130.56 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.85 -31.19 48.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.38 -44.81 78.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 81' ' ' LYS . 20.4 p -76.62 -63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 80' ' ' THR . 31.5 tttt -36.38 -43.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -62.62 -56.26 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -55.91 -47.17 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.751 ' CD1' ' NE2' ' A' ' 87' ' ' GLN . 51.8 t80 -60.77 -38.48 85.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.51 -17.97 60.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.42 -58.17 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.751 ' NE2' ' CD1' ' A' ' 84' ' ' TYR . 2.8 pp0? -47.98 -42.85 28.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 2.3 ptm85 -56.93 -177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.9 m -125.13 -59.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.48 -162.39 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.01 11.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 m -68.57 74.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.2 t -167.32 106.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -134.07 175.38 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -83.28 163.57 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.77 -166.55 17.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -74.47 161.26 29.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -151.39 138.85 19.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.03 -145.7 15.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.83 145.6 29.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.17 106.11 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -39.25 -40.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' OE1' HD12 ' A' ' 10' ' ' LEU . 8.7 mp0 -133.21 129.35 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -49.92 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.6 p -38.74 -44.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' LYS . 40.9 mt -81.53 -47.17 13.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LEU . 8.5 ttmm -36.39 -58.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -58.91 140.42 55.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -94.87 99.28 11.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CE3' HD12 ' A' ' 21' ' ' ILE . 44.3 m95 -71.55 -35.31 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 30.9 m-85 -64.28 -13.35 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.54 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.528 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.7 mt -60.89 -36.2 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 75' ' ' LEU . 16.0 mt -98.81 16.14 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.16 42.56 5.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 170.29 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -98.65 149.31 35.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 -2.23 9.83 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -120.45 10.91 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.14 -175.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' MET . 17.5 m-80 -120.69 154.87 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -35.35 -51.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 t -49.44 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' ' 35' ' ' GLN . 4.9 m-20 -40.06 -62.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -45.35 -39.82 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -66.31 -61.73 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.474 ' CG ' ' HA ' ' A' ' 32' ' ' ASP . 10.1 pt20 -48.86 -49.19 40.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -57.19 -42.95 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.743 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -61.28 -60.22 4.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -46.52 -59.23 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -55.14 -22.53 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 68' ' ' ILE . 80.8 mt -100.62 23.55 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.743 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 4.8 mm -113.66 -38.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -74.36 -34.51 63.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.9 -43.7 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -105.0 35.16 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.2 t-80 -95.67 139.7 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.73 -38.52 7.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -75.44 -28.34 59.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 24.6 mmtt -87.99 37.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.66 176.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 53' ' ' VAL . 79.3 p -168.08 143.1 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.13 -24.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -53.04 -44.17 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 50' ' ' SER . 5.4 m -74.15 138.35 75.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -167.45 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.18 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.043 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.52 90.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.6 m -46.62 -39.7 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -45.68 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.56 -25.33 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.05 -29.54 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.84 -29.25 69.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -72.34 -55.35 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.07 -38.92 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -72.74 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -42.73 -52.64 4.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.2 mt -52.0 -56.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.71 -49.41 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 40' ' ' LEU . 22.3 mt -53.89 -52.06 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.8 -18.38 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.477 ' N ' ' OE1' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.6 -53.57 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.512 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.35 -25.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.572 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 60.2 t-105 -85.05 -31.59 23.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 74' ' ' ILE . 39.5 mtmt -59.26 -24.55 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.9 mp -106.38 -38.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 22' ' ' LEU . 96.7 mt -95.23 16.4 16.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -106.21 -31.07 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 23.6 t-20 -88.86 158.43 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.42 -36.74 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.81 -64.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 83' ' ' LYS . 24.0 p -51.25 -57.03 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 7.8 tmtt? -47.2 -33.13 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -80.09 -26.75 39.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HZ1' ' HA ' ' A' ' 80' ' ' THR . 7.8 mtmp? -78.99 -53.61 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -48.13 -50.96 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -50.7 -44.64 58.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 83' ' ' LYS . 12.6 mt -67.74 -54.47 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.1 mm100 -46.89 -46.55 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 13.3 mtp-105 -36.2 150.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.2 p -77.98 160.13 28.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.34 158.12 9.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.55 30.86 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -149.19 167.14 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -69.96 -54.87 11.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HE3' ' CH2' ' A' ' 18' ' ' TRP . 20.5 ttpp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.732 0.301 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.93 109.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.573 ' CH2' ' HE3' ' A' ' 16' ' ' LYS . 47.5 m95 -93.2 -37.06 12.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -60.77 -13.37 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.84 -40.38 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.07 -36.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 75' ' ' LEU . 75.8 mt -87.09 -19.44 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.86 34.94 20.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.84 -176.62 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.84 152.67 43.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.37 6.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -122.9 22.07 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.13 161.47 13.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -100.48 158.39 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 14.5 mmm -39.37 -65.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' MET . 48.5 t -35.05 -41.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.91 -56.39 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 75' ' ' LEU . 15.9 mt -51.09 -56.23 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -46.09 -53.77 9.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -45.33 -44.76 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -69.16 -37.01 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 56.1 t80 -64.74 -55.21 21.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.51 -54.22 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -58.74 -18.77 34.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.1 mt -105.09 21.12 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 8.7 mm -113.47 -22.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.13 -6.34 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.37 -23.1 28.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -125.67 7.53 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.6 t-80 -57.52 139.52 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.595 0.712 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.83 -43.76 2.42 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.83 -28.24 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -93.93 47.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 58' ' ' MET . 61.6 mm-40 -113.11 179.45 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -124.24 134.19 53.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.32 56.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.92 31.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 50' ' ' SER . 30.7 m -108.14 141.4 23.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.11 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.89 -33.43 51.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.83 49.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -52.31 -48.99 65.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' A' ' 49' ' ' GLN . 2.3 mmt -53.64 -66.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -46.36 -46.17 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.58 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -49.38 68.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -55.35 -57.53 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -41.69 -42.07 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -73.25 -59.93 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HA ' HD12 ' A' ' 68' ' ' ILE . 70.6 t80 -44.22 -42.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.87 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.84 -41.87 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 40' ' ' LEU . 12.8 mt -64.18 -39.72 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.1 -18.36 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -91.88 -45.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.454 ' CB ' ' HG ' ' A' ' 22' ' ' LEU . . . -53.11 -19.58 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 46.8 t-105 -95.66 -31.02 13.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.35 -18.27 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 mp -111.13 -35.24 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 33' ' ' LEU . 57.4 mt -95.66 8.57 43.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -93.76 -40.5 4.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -84.04 -177.51 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 8.6 tm-20 -99.32 -30.89 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -77.79 -56.46 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 p -57.49 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -53.08 -27.71 21.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -84.02 -54.32 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -34.56 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -60.11 -58.98 6.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.54 -51.04 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.0 mm? -59.05 -43.56 91.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.43 -58.27 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 3.9 ptm85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 21' ' ' ILE . 13.3 ttmt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.752 0.311 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -68.71 102.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CE3' HD12 ' A' ' 21' ' ' ILE . 27.0 m95 -72.59 -44.18 62.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.7 m-85 -56.9 -13.34 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -95.52 -32.21 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.748 HD12 ' CE3' ' A' ' 18' ' ' TRP . 79.9 mt -68.57 -36.28 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 75' ' ' LEU . 15.3 mt -95.5 8.53 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.39 38.92 58.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 176.9 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.68 154.86 41.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -110.03 18.19 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.13 173.35 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -111.23 167.59 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.32 -65.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -41.86 -61.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.75 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.3 mt -40.53 -47.22 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -58.53 -48.98 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -51.86 -38.39 55.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.65 -34.52 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.721 ' CE1' HD11 ' A' ' 41' ' ' ILE . 26.9 t80 -68.99 -57.57 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -48.44 -49.97 33.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.03 -21.59 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 68' ' ' ILE . 96.5 mt -101.84 19.36 18.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 37' ' ' TYR . 10.4 mm -110.9 -26.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.2 -5.92 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 43' ' ' LEU . 20.7 mt -85.11 -23.35 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 49.7 m-85 -122.54 4.49 9.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.2 t-80 -60.31 139.94 91.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.77 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.09 -41.63 85.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 56.4 mmtt -60.49 -19.56 57.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -52.07 162.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 53' ' ' VAL . 75.6 m -143.51 154.3 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.2 -19.67 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.77 -57.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' SER . 3.4 m -61.89 140.56 95.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.63 0.729 . . . . 0.0 111.092 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -166.88 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.5 -42.26 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.85 -58.16 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.6 m -44.51 -42.31 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 tpt -45.83 -53.11 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.41 -46.74 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.93 -45.98 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.97 -44.55 41.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.5 tpt -57.33 -60.66 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -41.45 -54.84 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -59.01 -67.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 68' ' ' ILE . 79.5 t80 -37.42 -41.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -49.58 82.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 40' ' ' LEU . 33.6 mt -59.39 -48.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.89 -21.37 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -85.18 -44.7 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -25.52 38.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.561 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 60.0 t-105 -82.37 -36.83 26.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -48.57 -41.27 30.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -91.43 -61.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 22' ' ' LEU . 74.0 mt -61.06 -51.99 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.7 -32.49 1.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 79' ' ' GLU . 11.6 t-20 -87.83 178.63 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -108.35 -35.97 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG2' ' ND2' ' A' ' 77' ' ' ASN . 6.7 pt-20 -71.71 -55.95 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 p -67.2 -28.62 68.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -73.64 -35.53 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -73.12 -32.52 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.49 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 3.0 t80 -53.71 -52.8 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -50.4 -42.78 54.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.19 -40.21 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -59.09 -42.46 90.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' A' ' 21' ' ' ILE . 23.6 tttm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.47 132.08 46.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 42.3 m95 -109.66 -33.5 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 36.7 m-85 -63.29 -14.21 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.17 -38.95 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.557 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 67.2 mt -61.75 -36.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 75' ' ' LEU . 15.9 mt -95.36 12.75 28.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.59 46.66 37.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.84 -174.99 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.18 156.55 42.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.73 -1.76 9.0 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 -0.45 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.57 166.41 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' MET . 5.8 m120 -107.4 150.71 26.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' ASN . 5.0 mmt -36.37 -63.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -38.32 -55.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -67.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 24' ' ' ALA . 43.0 mt -36.24 -50.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -58.12 -46.8 84.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 58.0 mt-30 -53.71 -46.6 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.38 -36.92 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.8 t80 -62.63 -54.28 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.07 -57.11 8.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -21.63 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.787 ' O ' HD13 ' A' ' 68' ' ' ILE . 92.5 mt -101.15 24.25 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' TYR . 6.7 mm -114.66 -38.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.808 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -75.26 -39.74 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.18 -44.72 68.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -104.36 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -106.14 140.12 20.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.361 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.99 -34.18 73.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.808 ' NZ ' HD22 ' A' ' 42' ' ' LEU . 16.4 mmtp -83.12 37.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.638 ' OE1' HG21 ' A' ' 53' ' ' VAL . 70.8 mm-40 -99.55 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.506 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.2 t -165.24 144.31 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.08 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' SER . 39.0 t0 -48.26 -59.07 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.638 HG21 ' OE1' ' A' ' 49' ' ' GLN . 27.1 m -64.12 140.11 97.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.48 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.294 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.97 -30.64 17.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.39 -38.67 80.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -38.03 86.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.6 tpt -51.98 -43.99 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.37 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -68.39 -33.57 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.44 -42.23 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -54.26 -58.94 5.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.91 -56.87 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -57.68 10.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -45.75 -49.94 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.39 -38.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.82 -46.92 56.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.0 mt -57.62 -42.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.36 -16.26 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.94 -46.47 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -50.51 -30.71 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 42.4 t-105 -79.71 -36.53 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 74' ' ' ILE . 22.7 mtpp -52.34 -19.67 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.9 mp -113.34 -40.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.566 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 52.9 mt -97.79 31.41 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -120.2 -23.61 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -109.94 167.19 10.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -81.53 -34.61 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -56.54 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -57.17 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -43.97 -42.97 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -58.83 -50.64 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.09 -56.5 21.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -49.47 -59.34 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.07 -34.11 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.44 -41.68 24.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -61.01 -54.26 47.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 3.7 ptm85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' HD11 ' A' ' 21' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.786 0.326 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.81 95.37 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 21' ' ' ILE . 41.8 m95 -67.6 -44.97 76.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.2 m-85 -56.05 -14.72 2.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.23 -38.85 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.622 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.7 mt -61.77 -40.23 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 71' ' ' ALA . 21.4 mt -89.15 3.9 50.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.5 41.53 93.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.3 -176.99 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.87 156.75 49.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.79 -4.39 13.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 m -104.49 -8.07 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 176.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -125.47 157.61 36.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.8 mtp -38.42 -56.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -46.08 -49.39 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -64.37 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 24' ' ' ALA . 14.7 mt -41.7 -64.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 26.2 tttt -35.53 -50.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.41 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LEU . 2.2 mptp? -65.7 -42.02 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 68' ' ' ILE . 11.5 t80 -61.36 -54.23 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.87 -56.89 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -57.3 -17.59 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.881 ' O ' HD13 ' A' ' 68' ' ' ILE . 81.3 mt -103.99 22.0 15.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.9 mm -113.23 -36.63 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.41 -37.88 56.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.88 -47.74 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 12.2 m-85 -103.88 41.53 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.0 t-80 -95.83 139.93 22.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.4 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -93.74 47.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.5 m -163.78 141.09 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.0 -51.12 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 50' ' ' SER . 13.6 m -64.87 136.27 96.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.47 -39.43 97.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.9 m -67.42 -47.2 70.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 ttm -50.41 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -39.58 -55.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.78 -43.51 90.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.88 -37.26 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -60.27 -56.12 25.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.19 -50.84 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE3' ' CE2' ' A' ' 44' ' ' TYR . 13.3 mmmt -57.25 -66.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -39.71 -54.29 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.43 -47.78 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.78 98.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.9 mt -59.55 -52.87 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.54 -13.85 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -93.76 -38.59 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -62.6 -15.4 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 27.4 t-105 -96.99 -14.91 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.61 ' C ' HD12 ' A' ' 74' ' ' ILE . 45.3 mtpt -79.54 -13.91 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 73' ' ' LYS . 2.1 mp -116.23 -45.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -85.17 -16.47 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.4 27.47 9.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 3.3 m-20 -139.67 -179.39 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -102.04 -39.58 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -75.47 -69.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.8 p -51.99 -44.98 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 19.9 tttt -58.23 -30.51 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -80.04 -30.46 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -77.97 -54.84 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -52.36 -34.59 48.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -50.29 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.48 -36.71 83.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -67.59 -54.29 21.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HD2' ' CH2' ' A' ' 18' ' ' TRP . 24.4 ttmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -82.94 98.63 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 16' ' ' LYS . 61.5 m95 -76.34 -36.33 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.603 ' CD1' HD13 ' A' ' 75' ' ' LEU . 23.1 m-85 -61.48 -13.97 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -97.55 -34.54 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.45 -32.91 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 40.0 mt -96.8 10.72 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.01 40.24 35.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.51 179.51 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -110.69 156.19 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.81 -0.21 6.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 m -123.78 15.6 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.6 149.98 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -78.13 175.83 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 77' ' ' ASN . 2.1 tpt -74.32 -39.94 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -8.04 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.88 -47.85 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.5 -44.62 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 15.5 ttpt -55.05 -52.73 62.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -47.18 -46.97 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -47.17 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.3 t80 -57.46 -53.09 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.49 -59.65 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -55.89 -17.86 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.834 ' O ' HD13 ' A' ' 68' ' ' ILE . 84.7 mt -102.69 18.53 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.6 mm -110.94 -24.33 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -4.27 24.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.72 -23.26 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 68' ' ' ILE . 72.8 m-85 -121.99 -1.54 9.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -52.2 139.92 34.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.6 Cg_endo -69.73 -42.9 3.03 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.4 -43.53 85.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 29.0 mmtt -56.93 -27.83 61.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 58' ' ' MET . 74.2 mm-40 -45.77 171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 m -157.34 153.27 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.64 -21.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -54.2 -57.26 11.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.84 138.38 95.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -165.04 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.87 -37.73 16.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.13 -42.8 99.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.7 m -61.85 -38.83 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.406 ' CE ' ' HG3' ' A' ' 49' ' ' GLN . 6.3 tpt -50.81 -45.4 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.71 -54.14 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.2 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.49 -42.65 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.0 tpt -56.18 -70.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -40.32 -46.13 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CB ' ' CD1' ' A' ' 44' ' ' TYR . 33.5 mmtm -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 68' ' ' ILE . 68.4 t80 -54.55 -65.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.559 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.0 mp -41.77 -44.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.81 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.834 HD13 ' O ' ' A' ' 40' ' ' LEU . 18.2 mt -58.8 -45.66 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 13.1 t0 -63.61 -9.18 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' OE1' HG22 ' A' ' 66' ' ' ILE . 48.8 mt-30 -101.51 -41.3 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -53.67 -18.83 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.552 ' CH2' ' HG3' ' A' ' 34' ' ' LYS . 45.2 t-105 -83.39 -45.08 14.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -45.73 -23.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 mp -107.6 -57.34 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 19' ' ' TYR . 41.2 mt -87.52 26.68 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.54 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -104.09 -6.97 41.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' C ' ' SD ' ' A' ' 30' ' ' MET . 61.2 t30 -135.53 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.54 -45.51 79.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.33 -70.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.3 p -45.68 -46.37 14.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -57.04 -31.91 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -78.64 -53.05 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 86' ' ' LEU . 9.5 ptpt -56.63 -37.09 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -50.91 -36.31 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 83' ' ' LYS . 7.9 mt -71.39 -45.42 62.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -54.85 -38.29 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -88.78 126.95 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 47.6 m95 -97.74 -44.4 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.1 m-85 -56.33 -13.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -97.47 -38.83 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 18' ' ' TRP . 92.8 mt -66.78 -33.92 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 75' ' ' LEU . 38.4 mt -94.34 13.39 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 45.19 15.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -126.8 -179.91 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.98 157.91 37.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 -15.24 37.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.2 m -87.75 -13.7 41.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 174.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.19 -175.06 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -56.16 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 m -51.25 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -47.79 -60.42 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 75' ' ' LEU . 27.1 mt -46.8 -44.1 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -58.49 -46.63 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.64 -44.56 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 1.7 mppt? -68.88 -46.26 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 41' ' ' ILE . 34.8 t80 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.22 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 pttt -53.64 -18.3 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -102.1 21.74 14.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 37' ' ' TYR . 9.6 mm -114.93 -27.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.14 -7.22 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 39' ' ' LYS . 19.3 mt -84.64 -22.87 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -124.97 8.8 8.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 18.7 t-80 -61.54 139.71 95.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.78 -43.33 2.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.17 -30.91 71.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -89.17 46.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -119.05 -177.75 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.776 ' O ' HG22 ' A' ' 53' ' ' VAL . 11.5 t -161.99 138.74 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' OD1' HG13 ' A' ' 53' ' ' VAL . 4.9 p30 -46.08 -39.95 10.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -72.79 138.92 79.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.59 12.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.29 72.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.73 -39.41 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -64.37 -38.75 92.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -57.39 -51.1 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.85 -46.54 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.62 -40.15 84.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 5.5 ttt -62.97 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' MET . 93.4 mm-40 -34.13 -36.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' MET . 3.0 mmpt? -73.16 -54.83 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 68' ' ' ILE . 81.1 t80 -47.21 -61.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' H ' ' A' ' 66' ' ' ILE . 2.4 mp -40.34 -57.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.12 -52.99 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.3 mt -48.17 -48.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.76 -20.05 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 34.9 mt-30 -89.51 -56.96 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -42.41 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' GLY . 49.9 t-105 -81.98 -37.48 26.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' GLN . 45.3 mttm -49.44 -33.14 13.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.3 mp -94.6 -49.67 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 22' ' ' LEU . 22.3 mt -83.24 19.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -96.74 -40.64 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.6 167.0 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -81.61 -28.42 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.4 -59.89 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.466 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 43.9 p -54.76 -41.15 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -61.59 -35.14 77.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 86' ' ' LEU . 29.1 tttp -70.84 -48.18 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 37.5 mtmt -56.51 -54.4 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -47.42 -46.23 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.82 -48.34 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.71 -36.33 83.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.15 -57.95 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 1.5 ptm85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.786 0.327 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.51 117.41 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' HD12 ' A' ' 21' ' ' ILE . 34.9 m95 -94.68 -36.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 24.2 m-85 -62.62 -13.29 29.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.16 -38.86 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.596 HD12 ' CE3' ' A' ' 18' ' ' TRP . 72.5 mt -64.15 -38.35 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 14.6 mt -92.94 14.33 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.32 43.17 13.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.14 -176.33 3.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.16 154.63 58.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.75 -2.47 10.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.7 p -105.34 -6.15 19.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.07 -179.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -123.93 172.66 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.444 ' CE ' ' O ' ' A' ' 76' ' ' GLY . 45.5 tpp -52.28 -44.15 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -57.18 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.81 -65.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.33 -62.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -38.3 -45.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -43.44 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.635 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.6 t80 -59.67 -53.58 56.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -51.0 -59.23 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 43' ' ' LEU . 13.5 ptmt -54.47 -21.45 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -100.55 20.73 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.2 mm -113.54 -41.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -84.56 -9.22 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 42' ' ' LEU . 30.2 mt -81.25 -23.05 38.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HE2' ' A' ' 64' ' ' LYS . 26.1 m-85 -126.94 19.57 7.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 t-80 -71.65 140.11 83.96 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.52 -41.58 84.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -77.45 46.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -111.13 -178.09 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.6 t -163.13 133.67 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -35.42 -38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -38.22 -51.35 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -65.24 138.24 97.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -170.43 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -37.74 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.32 -41.22 92.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -65.45 -36.17 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.21 -45.14 94.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.28 -37.15 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -51.62 -46.19 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.5 tpt -54.4 -50.6 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -48.9 -57.03 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' PHE . 22.2 mmmt -52.47 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 68' ' ' ILE . 75.6 t80 -35.2 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.9 mt -53.09 -56.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -43.52 87.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -57.05 -41.85 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.81 -15.16 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -94.33 -36.34 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.01 -19.85 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 41.6 t-105 -90.73 -30.35 17.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.65 -31.53 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.41 -40.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 18' ' ' TRP . 68.3 mt -93.31 19.36 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.444 ' O ' ' CE ' ' A' ' 30' ' ' MET . . . -95.11 -53.08 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -87.29 162.19 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.6 -29.85 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.21 -50.89 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -63.48 -41.6 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 81' ' ' LYS . 1.3 ttmp? -68.39 -31.65 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.5 tttt -69.93 -42.85 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -65.02 -57.35 8.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLN . 41.1 t80 -39.49 -60.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.5 t70 -36.44 -49.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -62.19 -41.97 98.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' TYR . 8.8 mm100 -61.01 -57.88 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 21' ' ' ILE . 19.5 tttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -75.19 97.48 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.554 ' CE3' HD12 ' A' ' 21' ' ' ILE . 42.2 m95 -76.75 -33.31 58.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 26' ' ' PRO . 47.0 m-85 -63.21 -14.41 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -43.04 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.554 HD12 ' CE3' ' A' ' 18' ' ' TRP . 91.6 mt -56.85 -36.1 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 37.3 mt -94.12 0.05 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.26 41.98 99.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -120.5 -177.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -108.16 151.21 41.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.8 -2.34 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.5 22.56 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.69 178.07 7.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -111.31 -176.41 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.411 ' HE1' ' O ' ' A' ' 75' ' ' LEU . 7.8 mmt -64.66 -55.62 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 t -47.29 -51.84 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' CB ' ' A' ' 24' ' ' ALA . 66.5 mt -41.2 -47.83 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -58.11 -55.42 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -43.68 -52.11 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -60.39 -58.74 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 66.1 t80 -41.15 -58.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -50.91 -38.79 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -72.17 -19.89 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 61.1 mt -102.18 10.07 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.624 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 12.1 mm -102.95 -22.13 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -3.99 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -88.2 -23.11 23.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 85.0 m-85 -124.15 3.13 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.3 t-80 -55.13 140.34 62.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.8 Cg_endo -69.77 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -60.56 -41.19 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.54 49.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -123.81 -175.95 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.8 m -174.07 153.87 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.61 -25.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -46.72 -49.07 20.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 50' ' ' SER . 18.8 m -74.48 138.05 74.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.37 24.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.48 92.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.47 -34.98 35.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -72.68 -33.21 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.74 -50.58 71.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.5 -53.43 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.5 -39.67 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -49.44 -38.86 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' GLN . 6.4 tpt -62.22 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' MET . 36.6 mm-40 -36.7 -49.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 18.9 mmmt -61.85 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.541 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.3 t80 -39.1 -42.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -60.9 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.82 -46.32 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 65' ' ' PHE . 18.2 mt -56.06 -38.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -68.51 -15.39 63.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -94.16 -44.12 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.41 -30.84 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.526 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 27.4 t-105 -82.56 -31.26 29.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.64 -32.69 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 74' ' ' ILE . 5.3 mm -91.2 -50.63 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' O ' ' HE1' ' A' ' 30' ' ' MET . 31.6 mt -75.79 -53.56 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.526 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.95 -32.12 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.38 -177.11 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.04 -37.17 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -75.61 -51.4 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.1 p -72.98 -22.28 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -77.61 -37.36 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -73.63 -40.58 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD12 ' A' ' 86' ' ' LEU . 10.7 mtpt -69.73 -42.97 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -46.9 -59.33 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -42.28 -42.28 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.8 mt -70.86 -42.87 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.98 -42.35 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.64 103.65 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 45.0 m95 -76.32 -41.71 47.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 42.8 m-85 -58.71 -14.07 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.0 m -97.45 -36.52 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.4 -38.89 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 75' ' ' LEU . 24.0 mt -90.21 9.72 27.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.38 42.5 50.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.65 -176.42 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.11 153.06 43.43 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.74 -13.49 34.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -115.46 30.77 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.13 -176.46 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.68 160.11 18.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.04 -54.33 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -54.4 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.27 -57.0 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 mt -53.57 -51.46 62.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -54.39 -44.91 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -52.85 -47.49 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.5 mptp? -67.89 -35.14 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.22 -49.09 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -59.06 -55.01 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' ' HG ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.32 -12.49 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD13 ' A' ' 68' ' ' ILE . 38.7 mt -105.36 11.71 32.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.97 -22.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.51 -7.68 22.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.05 -23.23 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -123.31 4.68 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.6 t-80 -56.23 140.04 72.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.68 -47.56 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.02 -34.21 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -82.89 53.2 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -132.92 178.9 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.673 ' O ' HG22 ' A' ' 53' ' ' VAL . 16.0 t -166.68 153.62 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' ASP . . . -44.59 -34.8 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -36.76 -54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 50' ' ' SER . 25.3 m -65.06 140.07 97.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.74 15.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -20.07 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -26.01 57.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.3 m -73.42 -40.84 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 2.9 tpt -54.28 -55.72 25.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -43.32 -63.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -38.94 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.74 -41.05 56.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 66' ' ' ILE . 4.8 tpt -68.7 -57.86 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -42.59 -42.55 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -69.46 -66.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.5 t80 -40.63 -46.88 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 42.2 mt -57.17 -58.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -52.11 -48.4 64.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 40' ' ' LEU . 23.3 mt -52.79 -44.36 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.46 -9.66 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.75 -49.97 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -48.3 -26.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' GLY . 47.9 t-105 -83.54 -27.14 29.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' HD13 ' A' ' 74' ' ' ILE . 4.6 mmpt? -64.79 -16.51 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 73' ' ' LYS . 3.8 mm -107.82 -39.79 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 22' ' ' LEU . 39.6 mt -97.32 7.92 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -78.65 -46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -95.69 151.27 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.14 -35.79 81.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.9 -56.38 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.464 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 40.0 p -58.81 -32.02 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -70.31 -40.37 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -72.43 -27.37 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 38.6 mtmt -76.2 -43.23 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -65.67 -46.59 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.74 -27.58 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.52 -30.27 52.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -73.07 -45.82 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 18' ' ' TRP . 20.9 mmtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.1 86.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 32.2 m95 -63.87 -39.3 93.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.2 m-85 -61.81 -15.27 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.88 -40.61 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 67' ' ' GLU . 51.9 mt -62.96 -36.42 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD2' HG23 ' A' ' 68' ' ' ILE . 54.6 mt -91.25 3.9 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 40.03 83.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HB2' ' HE3' ' A' ' 36' ' ' LYS . . . -120.88 -178.04 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -109.84 153.25 43.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.848 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.1 Cg_endo -69.79 -10.11 27.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -99.45 -6.57 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . . . -67.76 175.45 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -127.33 174.07 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -47.31 23.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -52.09 -59.92 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.15 -67.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.804 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -39.68 -44.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -54.23 -49.86 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.63 -47.06 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -63.89 -36.2 83.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.839 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.5 t80 -67.52 -56.49 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -49.57 -55.08 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.669 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 ptmt -58.29 -22.05 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD13 ' A' ' 68' ' ' ILE . 88.3 mt -101.53 20.6 15.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.839 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.7 mm -111.27 -35.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -92.07 -6.1 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 39' ' ' LYS . 20.8 mt -85.03 -22.26 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 64' ' ' LYS . 75.2 m-85 -124.65 2.62 8.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -55.04 140.16 62.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.71 -39.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.406 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.24 -47.31 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 30.3 mmtt -52.91 -30.95 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 162.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' ASP . 10.6 t -153.06 144.98 23.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.9 t0 -50.47 -54.88 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' SER . 11.6 m -67.91 138.95 92.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.05 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.65 -32.14 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.65 -47.9 82.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -56.9 -42.27 79.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' GLU . 28.4 tpp -44.76 -60.24 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' MET . 33.2 tt0 -37.04 -57.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.5 -45.94 92.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.4 m -50.04 -34.83 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.1 tpt -69.2 -70.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' MET . 89.4 mm-40 -36.77 -31.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 44' ' ' TYR . 2.0 mmpt? -69.9 -62.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -44.65 -57.47 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.474 HD12 ' H ' ' A' ' 66' ' ' ILE . 2.1 mp -46.97 -55.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' HG21 ' A' ' 21' ' ' ILE . 31.6 mt-10 -54.48 -51.83 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.9 mt -53.33 -60.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.11 -26.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -86.73 -54.6 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.552 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.6 -25.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' GLY . 25.7 t-105 -80.69 -38.59 28.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' GLN . 43.2 mtpt -48.4 -37.25 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.7 mp -93.26 -50.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 19' ' ' TYR . 17.8 mt -85.34 25.83 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -118.63 -36.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' GLU . 44.9 t-20 -104.57 113.18 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ASN . 1.6 mp0 -34.53 -48.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -50.4 -61.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.1 p -59.73 -57.25 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -41.13 -44.66 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -61.1 -59.03 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.31 -43.36 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.76 -59.74 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -44.15 -36.43 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.31 -57.61 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -48.83 -40.99 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.39 130.69 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 68.4 m95 -97.77 -42.65 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 37.7 m-85 -56.57 -13.22 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.38 -39.99 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.478 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.9 mt -62.36 -35.23 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.91 7.44 44.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.02 43.52 61.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -177.02 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.54 153.61 42.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.743 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.4 Cg_endo -69.76 -0.78 7.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -125.8 29.97 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.92 171.51 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' MET . 59.9 m-80 -104.11 151.61 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -36.19 -52.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' ASP . 30.0 t -54.67 -68.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.7 m-20 -35.7 -61.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.424 HD22 HD13 ' A' ' 75' ' ' LEU . 37.6 mt -47.01 -55.92 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -51.52 -53.38 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -47.03 -48.38 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -63.07 -54.79 32.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.9 t80 -49.34 -59.66 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.53 -38.94 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' ILE . 76.8 mt -97.58 16.66 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 5.9 mm -108.43 -26.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.49 -32.83 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.67 -44.93 92.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 13.5 m-85 -103.07 31.75 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 24.0 t-80 -84.93 139.4 37.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.73 -41.3 4.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.92 -35.2 80.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -66.71 -30.64 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.15 159.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m -169.34 165.74 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.27 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.2 138.42 97.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.47 3.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.5 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.27 -58.74 11.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' MET . 91.5 m -39.49 -56.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 10.2 tpt -35.75 -56.55 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.99 -43.32 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' THR . 6.0 mm-40 -66.81 -44.25 81.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.97 -54.2 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.9 tpt -42.22 -61.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -46.11 -55.05 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 44' ' ' TYR . 13.4 mmmt -55.97 -62.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HA ' HD12 ' A' ' 68' ' ' ILE . 83.7 t80 -42.48 -44.85 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.22 -57.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -46.78 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 40' ' ' LEU . 37.6 mt -56.22 -50.16 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -17.2 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 44.5 mt-30 -90.5 -51.31 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.64 -30.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 48.9 t-105 -76.85 -36.12 57.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' GLN . 28.7 mmmt -49.73 -33.4 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 74' ' ' ILE . 4.0 mp -96.06 -72.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 HD22 ' A' ' 33' ' ' LEU . 73.1 mt -52.59 -37.71 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -56.34 -39.76 83.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -79.47 176.59 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -103.81 -43.23 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.69 -57.37 9.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 83' ' ' LYS . 40.7 p -61.82 -54.08 47.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -37.85 -40.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 17.3 ttpt -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.2 mtmm -57.02 -46.94 81.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 87' ' ' GLN . 50.0 t80 -53.08 -60.36 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -39.86 -49.82 2.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.65 -36.86 85.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 84' ' ' TYR . 10.9 mm100 -65.2 -58.34 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HE2' ' CH2' ' A' ' 18' ' ' TRP . 3.6 ttpm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.93 129.74 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 21' ' ' ILE . 60.9 m95 -103.51 -38.74 7.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 34.1 m-85 -62.79 -13.52 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -97.1 -36.99 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.58 HD12 ' CE3' ' A' ' 18' ' ' TRP . 94.9 mt -63.94 -38.42 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 71' ' ' ALA . 15.4 mt -92.09 3.31 55.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.08 43.78 96.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.94 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -107.58 153.5 41.34 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.75 -0.48 6.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.74 2.294 . . . . 0.0 112.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -123.24 26.71 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.0 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -108.14 158.43 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.3 OUTLIER -41.9 -51.36 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -55.07 -55.29 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.25 -62.66 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.63 -49.75 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 72' ' ' TRP . 16.9 tttt -51.05 -57.74 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -44.1 -47.61 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -65.03 -47.12 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 75.0 t80 -54.42 -60.21 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.57 -61.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -55.39 -21.68 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.1 mt -101.38 19.73 17.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 9.2 mm -110.04 -33.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -94.56 -8.7 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 40' ' ' LEU . 22.7 mt -80.23 -22.71 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 50.4 m-85 -125.45 13.87 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.55 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 9.7 t-80 -75.43 141.16 72.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.3 Cg_endo -69.8 -41.08 4.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.46 -43.01 82.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HZ2' ' CE1' ' A' ' 45' ' ' HIS . 6.9 mptt -75.68 48.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -119.05 -179.63 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 53' ' ' VAL . 3.0 m -159.94 141.17 12.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.81 -21.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.84 -53.25 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 50' ' ' SER . 12.9 m -62.73 139.97 97.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.55 10.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.84 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.01 -30.23 72.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.1 m -73.01 -52.09 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -40.04 -51.46 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.37 -50.72 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -59.42 -38.65 81.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.31 -51.54 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -48.83 -60.8 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -40.95 -59.47 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 19.1 mmmt -56.11 -68.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.2 t80 -35.09 -42.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.69 -51.73 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -59.16 -41.56 88.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 40' ' ' LEU . 32.1 mt -60.29 -59.95 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -46.59 -22.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -84.07 -55.87 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.71 -34.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.547 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 36.1 t-105 -67.85 -42.45 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 74' ' ' ILE . 23.1 mtpp -45.86 -34.2 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -102.63 -57.03 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.7 mt -84.52 33.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.96 -32.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -102.97 152.02 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.18 -22.98 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -84.65 -74.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 p -44.9 -48.01 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -48.17 -45.48 33.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -63.82 -47.39 81.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.52 -55.82 12.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -40.75 -59.69 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.23 -61.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.9 mm? -55.36 -48.3 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' ARG . 17.3 mm100 -48.12 -57.79 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' GLN . 12.3 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.773 0.321 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.28 102.12 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 70' ' ' GLN . 43.1 m95 -75.39 -31.28 60.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 26.7 m-85 -67.66 -14.48 62.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.53 -37.58 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' CE3' ' A' ' 18' ' ' TRP . 59.1 mt -66.53 -33.4 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 75' ' ' LEU . 31.5 mt -97.61 7.86 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.48 40.62 54.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -118.74 175.89 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -107.26 155.61 39.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.77 -3.0 11.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -123.79 3.86 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . . . -58.07 167.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -98.01 151.53 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.4 tpt -43.26 -52.15 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -52.7 -51.18 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.63 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 24' ' ' ALA . 65.3 mt -40.36 -63.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -45.6 -58.48 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -43.99 -44.79 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -52.97 23.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CE1' HD11 ' A' ' 41' ' ' ILE . 30.9 t80 -49.78 -53.59 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -54.84 -40.55 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 tttt -70.19 -15.38 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.808 ' O ' HD13 ' A' ' 68' ' ' ILE . 45.8 mt -105.45 8.79 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 37' ' ' TYR . 14.9 mm -102.67 -21.16 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -2.87 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 39' ' ' LYS . 27.2 mt -88.52 -23.33 23.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 88.5 m-85 -123.82 -0.48 8.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 t-80 -50.2 140.17 17.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.27 -46.41 73.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 37.2 mmtt -54.39 -26.06 28.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -45.94 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.6 m -163.97 154.4 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.52 -26.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -48.02 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -65.25 139.98 97.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 -30.23 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.56 -51.62 30.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 m -53.0 -37.36 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.3 mmm -50.86 -53.03 35.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.46 -45.93 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -22.55 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.7 t -66.84 -38.93 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -62.54 -56.05 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -46.45 -57.73 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 19.4 mmmt -53.87 -59.41 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 68' ' ' ILE . 77.6 t80 -46.62 -56.28 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.7 mt -46.13 -47.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.73 -41.87 97.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 40' ' ' LEU . 24.9 mt -60.18 -44.4 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.13 -15.88 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.576 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 68.6 mt-30 -93.53 -36.25 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 18' ' ' TRP . . . -66.33 -9.61 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.579 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 44.7 t-105 -97.6 -26.42 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.53 -19.6 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.14 -46.56 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 22' ' ' LEU . 43.0 mt -93.59 26.78 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -27.09 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -105.66 121.46 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -42.98 -35.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.38 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -56.41 -61.75 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -39.03 -35.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.5 tmtt? -72.17 -50.12 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -59.77 -44.93 93.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' ASP . 19.1 t80 -48.36 -67.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' TYR . 8.2 t0 -35.71 -48.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -64.71 -50.97 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -52.8 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.9 mtp-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.65 86.87 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CE3' HD12 ' A' ' 21' ' ' ILE . 11.6 m95 -65.43 -41.48 93.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 21.5 m-85 -60.1 -14.67 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -101.16 -40.9 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.802 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.509 HD12 ' CE3' ' A' ' 18' ' ' TRP . 29.1 mt -65.74 -21.91 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 75' ' ' LEU . 51.6 mt -107.7 11.58 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.1 42.77 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.415 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.78 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.3 156.24 40.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.72 -4.02 13.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -120.71 29.04 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.49 170.76 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.056 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -110.43 152.73 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 mmm -40.55 -49.36 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.7 m -51.79 -51.78 53.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.38 -60.76 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 75' ' ' LEU . 21.8 mt -45.66 -41.28 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' CH2' ' A' ' 72' ' ' TRP . 27.5 tttt -65.13 -45.07 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.45 -45.7 84.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.53 -37.41 86.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 4.4 t80 -66.8 -61.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 37.2 mt-30 -52.48 -29.65 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 4.2 tptt -82.24 -25.07 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.778 ' O ' HD13 ' A' ' 68' ' ' ILE . 67.4 mt -95.72 16.19 18.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mm -105.92 -33.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -74.83 -31.09 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 22.7 mt -67.26 -24.83 65.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 29.4 m-85 -107.03 -27.29 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t-80 -38.11 140.26 0.58 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.8 -43.81 2.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.16 -27.13 64.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.9 mmtt -86.69 45.58 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -125.06 174.02 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.2 t -159.13 153.74 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.96 -25.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -49.85 -56.25 11.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' SER . 5.0 m -64.93 138.97 97.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 176.46 6.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -36.32 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.4 -46.69 93.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.2 m -51.49 -36.52 44.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' CYS . 34.5 tpp -65.6 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.31 -42.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -73.84 -40.27 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.2 m -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.65 -62.26 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.95 -37.79 15.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 13.1 mmtp -75.23 -57.79 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.403 ' HA ' HD12 ' A' ' 68' ' ' ILE . 43.0 t80 -44.99 -41.38 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 65.8 mt -65.93 -44.72 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.73 -39.02 92.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.2 mt -61.82 -49.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 47.4 t0 -55.89 -18.24 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -93.77 -50.21 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -45.02 -25.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 39.1 t-105 -90.94 -27.53 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' GLN . 18.6 mtpp -59.28 -46.45 88.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.93 -48.05 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 22' ' ' LEU . 9.8 mt -57.09 -61.86 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.42 -40.46 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 48.4 t-20 -74.97 121.87 22.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.48 -23.8 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -69.84 -58.97 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -72.42 -46.33 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 12.9 tttp -47.28 -28.71 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -71.06 -48.91 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -67.11 -36.31 81.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.86 -64.29 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.11 -53.79 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.04 -45.29 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 88' ' ' ARG . 6.3 mm100 -54.51 -47.85 72.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' GLN . 33.3 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 tttm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 13.5 m-20 -104.14 129.76 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 41.3 m95 -100.55 -37.9 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 34.7 m-85 -60.04 -13.35 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -99.4 -38.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.3 mt -64.33 -37.42 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 75' ' ' LEU . 32.4 mt -92.23 7.45 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.79 42.97 53.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.477 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -119.28 -175.13 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -111.22 150.81 42.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 -0.17 6.56 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -130.15 25.48 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.28 164.16 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' MET . 54.1 m-20 -89.0 142.69 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 tpp -37.26 -46.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.97 -53.36 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.44 -58.06 7.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.3 mt -48.87 -42.49 36.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.93 -44.11 97.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -56.42 -47.84 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -48.06 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 41' ' ' ILE . 45.8 t80 -52.71 -62.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.92 -45.13 50.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -67.49 -27.47 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 68' ' ' ILE . 91.6 mt -97.01 15.88 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 ' CE1' ' A' ' 37' ' ' TYR . 2.8 mm -106.54 -30.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -78.71 -31.94 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.6 -37.05 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 37.8 m-85 -110.54 33.16 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 10.9 t-80 -94.07 140.35 22.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.82 -45.92 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -67.82 -46.53 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 20.1 mmtm -58.88 -11.54 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -52.25 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.0 m -171.51 157.93 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.71 -10.12 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -43.19 78.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 50' ' ' SER . 19.3 m -70.67 139.05 85.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.665 0.745 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.53 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.82 -2.19 58.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.8 -42.57 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -58.02 -48.3 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.3 tpt -42.18 -62.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -44.35 -41.75 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.88 -40.88 83.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 m -55.21 -16.07 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -80.88 -56.64 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -53.05 -29.99 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -79.98 -56.17 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -47.21 -48.42 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.82 -58.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.01 -50.83 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.0 mt -53.86 -39.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.93 -10.24 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.66 -40.98 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -57.19 -17.99 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 51.6 t-105 -96.3 -38.36 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -47.87 -40.27 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.83 -54.51 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 22' ' ' LEU . 59.0 mt -61.6 -60.5 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -39.02 -33.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -75.85 179.4 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.34 -43.03 3.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.01 -59.7 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.0 p -61.47 -29.29 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 11.6 tmtt? -75.44 -36.08 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -72.04 -35.0 69.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -75.53 -51.73 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -52.26 -47.16 65.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -30.59 10.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.67 -38.22 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -53.44 -40.76 65.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 11.1 mtm105 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE3' ' CZ3' ' A' ' 18' ' ' TRP . 16.6 ttpt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.764 0.316 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.27 141.49 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' A' ' 21' ' ' ILE . 48.3 m95 -113.93 -44.84 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -56.19 -13.79 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -97.21 -35.9 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.728 HD13 ' HB3' ' A' ' 67' ' ' GLU . 61.9 mt -65.08 -38.83 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 23.8 mt -89.21 6.98 37.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.39 43.68 84.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.96 -176.0 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.34 151.27 45.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.546 0.689 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.38 8.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -109.99 0.32 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -177.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' MET . 50.1 t30 -125.06 150.58 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ASN . 37.0 tpp -37.04 -40.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -61.46 -54.91 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.5 t0 -57.06 -67.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ASP . 11.1 mt -34.45 -55.68 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -45.74 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.83 -44.3 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -65.37 -57.21 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 25.7 t80 -50.56 -52.49 38.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -50.08 -60.0 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.955 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -55.34 -20.07 10.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 68' ' ' ILE . 94.6 mt -96.78 16.57 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 10.1 mm -109.44 -24.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -94.33 -26.23 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.71 -35.69 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -115.38 32.32 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.9 t-80 -85.28 140.16 36.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.77 -45.1 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.81 -45.02 79.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.3 mmtt -55.52 -16.18 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -57.47 166.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -152.96 176.26 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -4.18 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.82 -30.95 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.55 139.51 22.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.65 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 -32.7 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.36 52.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -51.8 -50.6 60.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -40.56 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -45.23 -46.7 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.09 -36.04 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.76 -45.78 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -57.75 -58.94 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -42.3 -41.02 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -72.66 -64.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -40.26 -42.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.455 HG22 ' OE1' ' A' ' 70' ' ' GLN . 93.3 mt -57.35 -53.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' A' ' 21' ' ' ILE . 24.5 mt-10 -57.99 -49.22 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.9 mt -57.08 -44.64 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.01 -12.55 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' OE1' HG22 ' A' ' 66' ' ' ILE . 39.8 mt-30 -97.98 -44.9 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -47.68 -28.39 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -82.02 -27.49 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 3.7 mmpt? -56.03 -27.41 53.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.8 mp -110.57 -30.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.6 mt -98.76 27.36 4.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.82 -45.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -87.17 130.3 34.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.0 -23.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.99 -70.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -48.8 -35.06 13.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -68.54 -34.15 75.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.12 -34.41 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.5 mtmp? -71.13 -57.5 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 39.7 t80 -45.74 -52.96 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.69 -44.27 37.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.7 mt -64.76 -51.09 64.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.13 -41.09 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' ' CH2' ' A' ' 18' ' ' TRP . 19.3 tttp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -59.87 109.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CH2' ' HD3' ' A' ' 16' ' ' LYS . 70.5 m95 -98.61 -37.09 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.471 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 27.2 m-85 -61.86 -13.38 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -98.8 -41.96 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' CE3' ' A' ' 18' ' ' TRP . 61.3 mt -59.61 -34.01 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HG23 ' A' ' 68' ' ' ILE . 56.4 mt -93.93 -17.01 23.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 44.66 12.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.52 171.53 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.81 150.77 41.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.73 -1.14 7.95 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.751 2.301 . . . . 0.0 112.335 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -126.04 35.31 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.71 171.79 7.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -111.4 177.86 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.4 -57.93 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -44.63 -37.74 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -78.53 -74.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 24' ' ' ALA . 29.5 mt -35.73 -45.73 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.537 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 3.0 ttpm? -57.2 -57.07 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -41.18 -45.97 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -39.13 75.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.79 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.2 t80 -60.97 -54.92 39.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.16 -58.88 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -56.84 -16.98 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.2 mt -107.11 21.02 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.79 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.6 mm -111.75 -21.31 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -103.33 -12.39 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 HD23 ' A' ' 40' ' ' LEU . 30.3 mt -78.39 -23.83 46.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 50.9 m-85 -125.0 19.94 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 t-80 -81.06 140.74 49.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.3 Cg_endo -69.76 -39.74 6.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.06 -33.94 59.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 8.4 mmtp -80.16 44.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' OE1' HG21 ' A' ' 53' ' ' VAL . 78.8 mm-40 -112.02 176.82 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.2 m -168.27 148.14 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -33.91 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.9 m-20 -38.01 -63.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.48 HG21 ' OE1' ' A' ' 49' ' ' GLN . 32.2 m -68.43 133.38 91.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.648 0.737 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.75 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.74 -40.07 98.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -59.56 -42.11 91.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 tpt -52.76 -43.01 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -52.52 -59.46 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.7 m -48.74 -37.72 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.582 ' HG3' HD11 ' A' ' 66' ' ' ILE . 3.2 tpt -59.98 -71.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' MET . 57.0 mm-40 -35.54 -40.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 44' ' ' TYR . 44.8 mmtm -66.72 -58.29 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -45.68 -58.79 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 62' ' ' MET . 3.7 mp -45.57 -54.4 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.8 -51.89 64.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 17.9 mt -55.49 -60.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -46.27 -26.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' LYS . 79.6 mt-30 -82.83 -52.25 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.29 -35.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 43.0 t-105 -71.52 -37.59 71.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' GLN . 44.5 mtmt -50.9 -36.07 36.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -95.83 -48.3 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.13 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -107.35 -42.71 1.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -102.18 155.93 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.02 -46.2 88.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.48 -58.31 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.3 p -58.4 -55.48 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.48 -44.13 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 86' ' ' LEU . 19.8 tttp -64.08 -54.95 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -54.55 -53.13 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 88' ' ' ARG . 50.3 t80 -45.13 -61.65 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.9 t70 -36.08 -46.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -70.85 -45.39 64.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.76 -45.06 74.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 10.4 mtm105 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 13.7 ttmt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.768 0.318 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.15 88.73 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.545 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 37.5 m95 -73.29 -42.99 61.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CE1' HD22 ' A' ' 75' ' ' LEU . 22.4 m-85 -56.42 -14.1 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -98.01 -40.07 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.534 HG21 ' HB3' ' A' ' 67' ' ' GLU . 40.5 mt -65.01 -35.32 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 31.4 mt -95.74 18.84 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.31 41.46 2.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -117.01 -178.96 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -106.02 153.22 40.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.8 -22.04 32.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.5 p -101.42 18.79 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 176.59 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -113.28 178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.08 -46.74 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.62 -59.47 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -47.73 -62.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 75' ' ' LEU . 64.0 mt -46.55 -50.1 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -50.74 -56.62 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.1 -49.08 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -35.2 79.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.78 ' CE1' HD11 ' A' ' 41' ' ' ILE . 48.4 t80 -67.54 -59.99 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -50.69 -40.56 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.824 ' HE2' HD11 ' A' ' 43' ' ' LEU . 12.8 tptm -70.01 -19.87 63.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.745 ' O ' HD13 ' A' ' 68' ' ' ILE . 89.3 mt -104.72 9.02 35.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' CE1' ' A' ' 37' ' ' TYR . 11.4 mm -102.27 -20.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 -6.38 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.824 HD11 ' HE2' ' A' ' 39' ' ' LYS . 23.7 mt -84.37 -23.52 30.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.488 ' CE2' ' HG3' ' A' ' 64' ' ' LYS . 50.7 m-85 -124.23 11.61 8.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.1 t-80 -68.96 140.1 91.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.74 -43.31 2.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.633 2.222 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.76 -48.41 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.68 -27.48 40.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' OE1' HG21 ' A' ' 53' ' ' VAL . 72.6 mm-40 -38.72 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.7 m -153.66 149.34 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.91 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' SER . 18.7 t0 -52.06 -61.33 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG21 ' OE1' ' A' ' 49' ' ' GLN . 4.4 m -63.04 137.79 97.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.01 -38.44 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.8 99.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.6 m -60.41 -37.08 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.54 -49.89 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -54.53 -48.57 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.96 -50.04 10.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -40.17 -56.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 3.9 mmpt? -59.7 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.683 ' HA ' HD12 ' A' ' 68' ' ' ILE . 67.9 t80 -37.81 -48.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.97 -62.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' HG21 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -50.21 -47.7 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.5 mt -54.67 -54.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.59 -23.9 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.29 -49.21 8.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.545 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.19 -38.4 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 24.5 t-105 -64.72 -44.99 88.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -44.25 -35.87 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.3 mp -96.16 -56.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 19' ' ' TYR . 46.2 mt -85.87 34.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -110.88 -43.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.5 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -104.67 156.81 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.07 -42.63 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.85 -47.28 85.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.1 p -69.42 -56.78 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -35.06 47.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -68.29 -51.75 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.28 -46.68 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -45.36 -58.75 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -40.25 -48.6 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.88 -45.45 85.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.51 -48.38 79.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 4.0 ptm85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.838 0.351 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.5 141.45 50.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.579 ' CE3' HD12 ' A' ' 21' ' ' ILE . 36.7 m95 -115.17 -43.5 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 40.5 m-85 -57.03 -13.18 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -97.76 -36.77 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.579 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.8 mt -66.44 -34.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 46.6 mt -93.66 2.06 56.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.04 41.17 97.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -122.84 -178.39 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -112.69 155.11 44.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.623 0.725 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.77 -16.48 37.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 p -99.54 4.64 46.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.34 162.12 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -99.1 165.33 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -47.71 -63.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -39.82 -63.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 8.8 m-20 -47.18 -72.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.1 mt -38.61 -47.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.34 -43.9 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' ASP . 76.8 mt-30 -58.48 -45.86 87.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.56 -40.39 95.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 14.0 t80 -61.77 -51.03 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.63 -57.3 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.39 -19.27 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.8 mt -102.19 23.21 11.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mm -114.37 -37.61 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.12 -35.75 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.09 -46.7 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 31.3 m-85 -105.73 40.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -97.3 140.2 21.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.79 -45.71 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.86 -46.96 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.37 -20.5 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -48.25 172.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 t -163.75 170.83 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.89 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -49.3 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.38 135.38 72.58 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.56 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.64 44.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.5 m -52.07 -42.31 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 tpt -45.49 -49.81 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.68 -47.21 70.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.28 -40.55 96.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -52.16 -48.76 64.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.88 -55.62 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.92 -54.18 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -57.2 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -40.93 -63.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.8 mt -39.43 -48.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 21' ' ' ILE . 9.5 mm-40 -63.17 -50.99 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' O ' ' A' ' 40' ' ' LEU . 26.5 mt -55.81 -56.71 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 17.9 t0 -52.57 -16.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.14 -52.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -43.18 -37.33 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.593 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 38.5 t-105 -70.79 -32.71 69.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' GLN . 70.0 mmtt -52.07 -40.45 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -97.71 -23.93 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 18.9 mt -108.3 28.68 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -122.67 -34.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -100.13 130.56 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.85 -31.19 48.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.38 -44.81 78.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 81' ' ' LYS . 20.4 p -76.62 -63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 80' ' ' THR . 31.5 tttt -36.38 -43.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -62.62 -56.26 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -55.91 -47.17 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD1' ' OE1' ' A' ' 87' ' ' GLN . 51.8 t80 -60.77 -38.48 85.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.51 -17.97 60.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.42 -58.17 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CD1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -47.98 -42.85 28.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 2.3 ptm85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -94.87 99.28 11.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CE3' HD12 ' A' ' 21' ' ' ILE . 44.3 m95 -71.55 -35.31 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 30.9 m-85 -64.28 -13.35 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.54 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.528 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.7 mt -60.89 -36.2 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 75' ' ' LEU . 16.0 mt -98.81 16.14 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.16 42.56 5.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 170.29 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -98.65 149.31 35.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 -2.23 9.83 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -120.45 10.91 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.14 -175.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' MET . 17.5 m-80 -120.69 154.87 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -35.35 -51.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 t -49.44 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' ' 35' ' ' GLN . 4.9 m-20 -40.06 -62.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -45.35 -39.82 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -66.31 -61.73 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.474 ' CG ' ' HA ' ' A' ' 32' ' ' ASP . 10.1 pt20 -48.86 -49.19 40.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -57.19 -42.95 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.743 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -61.28 -60.22 4.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -46.52 -59.23 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -55.14 -22.53 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 68' ' ' ILE . 80.8 mt -100.62 23.55 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.743 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 4.8 mm -113.66 -38.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -74.36 -34.51 63.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.9 -43.7 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -105.0 35.16 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.2 t-80 -95.67 139.7 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.73 -38.52 7.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -75.44 -28.34 59.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 24.6 mmtt -87.99 37.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.66 176.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 53' ' ' VAL . 79.3 p -168.08 143.1 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.13 -24.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -53.04 -44.17 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 50' ' ' SER . 5.4 m -74.15 138.35 75.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -167.45 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.18 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.043 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.52 90.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.6 m -46.62 -39.7 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -45.68 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.56 -25.33 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.05 -29.54 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.84 -29.25 69.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -72.34 -55.35 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.07 -38.92 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -72.74 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -42.73 -52.64 4.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.2 mt -52.0 -56.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.71 -49.41 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 40' ' ' LEU . 22.3 mt -53.89 -52.06 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.8 -18.38 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.6 -53.57 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.512 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.35 -25.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.572 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 60.2 t-105 -85.05 -31.59 23.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 74' ' ' ILE . 39.5 mtmt -59.26 -24.55 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.9 mp -106.38 -38.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 22' ' ' LEU . 96.7 mt -95.23 16.4 16.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -106.21 -31.07 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 23.6 t-20 -88.86 158.43 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.42 -36.74 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.81 -64.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 83' ' ' LYS . 24.0 p -51.25 -57.03 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 7.8 tmtt? -47.2 -33.13 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -80.09 -26.75 39.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HZ1' ' HA ' ' A' ' 80' ' ' THR . 7.8 mtmp? -78.99 -53.61 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -48.13 -50.96 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -50.7 -44.64 58.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 83' ' ' LYS . 12.6 mt -67.74 -54.47 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.1 mm100 -46.89 -46.55 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 13.3 mtp-105 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -59.29 104.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.804 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -148.06 119.63 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.92 90.28 0.67 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -156.76 135.27 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -66.79 149.81 50.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.13 -71.69 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttm -41.96 129.81 3.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.69 148.75 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' GLU . 3.3 mm? -84.54 74.31 10.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 11.1 pt-20 36.19 44.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -91.17 -58.04 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.4 p -139.2 -179.09 5.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mt 57.52 30.09 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -120.75 -40.1 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HE3' ' CH2' ' A' ' 18' ' ' TRP . 20.5 ttpp -78.3 133.76 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.93 109.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.573 ' CH2' ' HE3' ' A' ' 16' ' ' LYS . 47.5 m95 -93.2 -37.06 12.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -60.77 -13.37 14.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.84 -40.38 8.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.07 -36.75 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 75' ' ' LEU . 75.8 mt -87.09 -19.44 28.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.86 34.94 20.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.84 -176.62 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.84 152.67 43.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.37 6.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 m -122.9 22.07 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.13 161.47 13.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -100.48 158.39 15.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 14.5 mmm -39.37 -65.52 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' MET . 48.5 t -35.05 -41.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.91 -56.39 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 75' ' ' LEU . 15.9 mt -51.09 -56.23 13.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -46.09 -53.77 9.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -45.33 -44.76 11.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -69.16 -37.01 77.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.59 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 56.1 t80 -64.74 -55.21 21.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.51 -54.22 29.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -58.74 -18.77 34.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.1 mt -105.09 21.12 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.59 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 8.7 mm -113.47 -22.04 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.13 -6.34 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.37 -23.1 28.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -125.67 7.53 7.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.6 t-80 -57.52 139.52 80.87 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.595 0.712 . . . . 0.0 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.83 -43.76 2.42 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.83 -28.24 69.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -93.93 47.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 58' ' ' MET . 61.6 mm-40 -113.11 179.45 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -124.24 134.19 53.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.05 -15.32 56.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.92 31.91 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 50' ' ' SER . 30.7 m -108.14 141.4 23.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -177.11 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.89 -33.43 51.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.28 -52.83 49.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -52.31 -48.99 65.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.126 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.41 ' HE1' ' HG3' ' A' ' 49' ' ' GLN . 2.3 mmt -53.64 -66.73 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -46.36 -46.17 18.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.58 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -49.38 68.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -55.35 -57.53 11.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -41.69 -42.07 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -73.25 -59.93 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HA ' HD12 ' A' ' 68' ' ' ILE . 70.6 t80 -44.22 -42.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.6 mt -61.87 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.84 -41.87 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 40' ' ' LEU . 12.8 mt -64.18 -39.72 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -68.1 -18.36 64.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -91.88 -45.93 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.454 ' CB ' ' HG ' ' A' ' 22' ' ' LEU . . . -53.11 -19.58 3.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 46.8 t-105 -95.66 -31.02 13.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -57.35 -18.27 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 mp -111.13 -35.24 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 33' ' ' LEU . 57.4 mt -95.66 8.57 43.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -93.76 -40.5 4.66 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 0.7 OUTLIER -84.04 -177.51 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 8.6 tm-20 -99.32 -30.89 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -77.79 -56.46 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 p -57.49 -51.75 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.0 tmtt? -53.08 -27.71 21.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -84.02 -54.32 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -34.56 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -60.11 -58.98 6.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -43.54 -51.04 7.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 86' ' ' LEU . 4.0 mm? -59.05 -43.56 91.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -60.43 -58.27 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 3.9 ptm85 -58.35 158.1 7.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -83.01 157.87 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.84 148.29 19.48 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 p -77.49 102.75 7.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -163.9 166.2 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.504 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -164.33 136.48 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.857 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 p -110.33 146.7 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.49 152.8 29.56 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.5 t -124.16 145.73 49.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -120.13 170.75 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.57 88.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -154.31 149.48 26.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.28 128.1 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.48 48.37 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 59.36 43.7 16.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 13' ' ' THR . 16.5 mt-30 -94.88 61.94 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 12' ' ' GLN . 2.0 p -162.93 -176.53 4.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.774 HD12 HE21 ' A' ' 87' ' ' GLN . 25.0 mt -38.61 -43.51 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.7 mmtp -35.94 -63.08 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 21' ' ' ILE . 13.3 ttmt -57.48 133.05 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -68.71 102.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.748 ' CE3' HD12 ' A' ' 21' ' ' ILE . 27.0 m95 -72.59 -44.18 62.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.7 m-85 -56.9 -13.34 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -95.52 -32.21 12.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.748 HD12 ' CE3' ' A' ' 18' ' ' TRP . 79.9 mt -68.57 -36.28 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 75' ' ' LEU . 15.3 mt -95.5 8.53 43.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.39 38.92 58.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.37 176.9 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.68 154.86 41.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.8 Cg_endo -69.78 -8.58 23.96 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -110.03 18.19 20.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.13 173.35 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -111.23 167.59 10.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -46.32 -65.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 t -41.86 -61.98 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.75 -68.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.3 mt -40.53 -47.22 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -58.53 -48.98 79.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -51.86 -38.39 55.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -75.65 -34.52 60.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.721 ' CE1' HD11 ' A' ' 41' ' ' ILE . 26.9 t80 -68.99 -57.57 5.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -48.44 -49.97 33.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -63.03 -21.59 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.762 ' O ' HD13 ' A' ' 68' ' ' ILE . 96.5 mt -101.84 19.36 18.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.721 HD11 ' CE1' ' A' ' 37' ' ' TYR . 10.4 mm -110.9 -26.3 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.142 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.2 -5.92 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 43' ' ' LEU . 20.7 mt -85.11 -23.35 28.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 49.7 m-85 -122.54 4.49 9.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.2 t-80 -60.31 139.94 91.68 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.621 0.724 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.77 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -67.09 -41.63 85.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 56.4 mmtt -60.49 -19.56 57.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -52.07 162.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 53' ' ' VAL . 75.6 m -143.51 154.3 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.2 -19.67 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.77 -57.76 11.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 50' ' ' SER . 3.4 m -61.89 140.56 95.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.63 0.729 . . . . 0.0 111.092 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -166.88 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.358 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.5 -42.26 14.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.85 -58.16 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.6 m -44.51 -42.31 7.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.732 0.301 . . . . 0.0 111.097 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.6 tpt -45.83 -53.11 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.41 -46.74 63.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.93 -45.98 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -48.97 -44.55 41.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.5 tpt -57.33 -60.66 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -41.45 -54.84 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -59.01 -67.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' HA ' HD12 ' A' ' 68' ' ' ILE . 79.5 t80 -37.42 -41.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -49.58 82.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' HB3' HD13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -61.79 -42.6 99.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.762 HD13 ' O ' ' A' ' 40' ' ' LEU . 33.6 mt -59.39 -48.42 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.89 -21.37 64.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -85.18 -44.7 12.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.59 -25.52 38.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.561 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 60.0 t-105 -82.37 -36.83 26.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -48.57 -41.27 30.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -91.43 -61.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 22' ' ' LEU . 74.0 mt -61.06 -51.99 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.7 -32.49 1.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 79' ' ' GLU . 11.6 t-20 -87.83 178.63 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -108.35 -35.97 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG2' ' ND2' ' A' ' 77' ' ' ASN . 6.7 pt-20 -71.71 -55.95 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.6 p -67.2 -28.62 68.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -73.64 -35.53 65.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -73.12 -32.52 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 -37.49 33.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 88' ' ' ARG . 3.0 t80 -53.71 -52.8 58.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -50.4 -42.78 54.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.19 -40.21 74.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.774 HE21 HD12 ' A' ' 14' ' ' LEU . 3.0 mm100 -59.09 -42.46 90.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 84' ' ' TYR . 0.8 OUTLIER -79.28 -4.39 50.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.0 t -128.79 93.28 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -142.06 146.25 17.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -9.0 25.04 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.9 p -64.48 130.81 45.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.4 t -125.14 81.94 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -131.68 108.22 9.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t 52.68 42.54 31.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.03 156.85 42.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m -64.81 90.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -87.49 143.06 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.85 135.41 0.85 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 tpt -101.21 -53.47 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.46 132.3 56.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.085 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -119.98 -12.45 9.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -106.02 47.21 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -123.0 -179.0 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.3 p -126.29 -45.51 1.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD13 HE21 ' A' ' 87' ' ' GLN . 25.8 mt -103.9 -45.54 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -52.72 -36.0 56.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' A' ' 21' ' ' ILE . 23.6 tttm -74.46 155.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.47 132.08 46.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.529 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 42.3 m95 -109.66 -33.5 6.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 36.7 m-85 -63.29 -14.21 47.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.17 -38.95 9.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.557 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 67.2 mt -61.75 -36.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD12 HD12 ' A' ' 75' ' ' LEU . 15.9 mt -95.36 12.75 28.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.59 46.66 37.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.84 -174.99 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.313 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.18 156.55 42.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.551 0.691 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.73 -1.76 9.0 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 -0.45 10.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.57 166.41 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 30' ' ' MET . 5.8 m120 -107.4 150.71 26.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 29' ' ' ASN . 5.0 mmt -36.37 -63.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.0 t -38.32 -55.76 1.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.42 -67.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 24' ' ' ALA . 43.0 mt -36.24 -50.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -58.12 -46.8 84.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' ASP . 58.0 mt-30 -53.71 -46.6 70.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.38 -36.92 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.708 ' CE1' HD11 ' A' ' 41' ' ' ILE . 14.8 t80 -62.63 -54.28 41.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -50.07 -57.11 8.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.8 -21.63 30.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.787 ' O ' HD13 ' A' ' 68' ' ' ILE . 92.5 mt -101.15 24.25 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.708 HD11 ' CE1' ' A' ' 37' ' ' TYR . 6.7 mm -114.66 -38.33 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.808 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -75.26 -39.74 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.18 -44.72 68.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -104.36 39.52 1.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -106.14 140.12 20.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.694 2.262 . . . . 0.0 112.361 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.99 -34.18 73.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.808 ' NZ ' HD22 ' A' ' 42' ' ' LEU . 16.4 mmtp -83.12 37.22 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.638 ' OE1' HG21 ' A' ' 53' ' ' VAL . 70.8 mm-40 -99.55 174.56 6.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.506 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.2 t -165.24 144.31 6.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.08 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' SER . 39.0 t0 -48.26 -59.07 3.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.638 HG21 ' OE1' ' A' ' 49' ' ' GLN . 27.1 m -64.12 140.11 97.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.48 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.74 2.294 . . . . 0.0 112.348 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.97 -30.64 17.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.39 -38.67 80.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.1 m -61.96 -38.03 86.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.6 tpt -51.98 -43.99 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.37 -43.75 98.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -68.39 -33.57 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.44 -42.23 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -54.26 -58.94 5.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -46.91 -56.87 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.7 -57.68 10.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -45.75 -49.94 14.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 87.2 mt -56.39 -38.24 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -71.82 -46.92 56.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.0 mt -57.62 -42.23 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.073 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.36 -16.26 61.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -93.94 -46.47 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -50.51 -30.71 13.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 42.4 t-105 -79.71 -36.53 37.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 74' ' ' ILE . 22.7 mtpp -52.34 -19.67 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.9 mp -113.34 -40.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 52.9 mt -97.79 31.41 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -120.2 -23.61 2.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -109.94 167.19 10.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -81.53 -34.61 31.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -56.54 5.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.3 p -57.17 -62.6 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -43.97 -42.97 6.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -58.83 -50.64 73.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.09 -56.5 21.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -49.47 -59.34 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.07 -34.11 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.0 mt -80.44 -41.68 24.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.721 HE21 HD13 ' A' ' 14' ' ' LEU . 10.8 mm100 -61.01 -54.26 47.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 3.7 ptm85 -51.86 -42.41 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -64.06 114.31 4.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -128.1 175.64 18.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.32 4.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.1 t -79.7 142.94 35.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.5 t -137.05 121.53 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.478 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -157.89 167.78 29.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -111.68 124.55 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.01 150.97 18.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -88.42 38.07 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -122.87 159.77 27.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.56 70.14 0.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -119.76 114.7 22.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.47 178.81 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.5 tp -110.86 121.83 46.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 61.42 52.93 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -80.47 8.97 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -94.38 -46.99 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 mt -76.8 -18.06 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -76.83 -36.29 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' HD11 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -77.47 121.68 24.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.81 95.37 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 21' ' ' ILE . 41.8 m95 -67.6 -44.97 76.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.2 m-85 -56.05 -14.72 2.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.23 -38.85 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.622 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.7 mt -61.77 -40.23 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 71' ' ' ALA . 21.4 mt -89.15 3.9 50.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.5 41.53 93.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.46 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.3 -176.99 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.87 156.75 49.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.79 -4.39 13.95 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.244 . . . . 0.0 112.35 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 m -104.49 -8.07 19.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.06 176.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -125.47 157.61 36.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.8 mtp -38.42 -56.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -46.08 -49.39 16.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -64.37 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 24' ' ' ALA . 14.7 mt -41.7 -64.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 33' ' ' LEU . 26.2 tttt -35.53 -50.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -58.41 -44.37 89.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LEU . 2.2 mptp? -65.7 -42.02 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 68' ' ' ILE . 11.5 t80 -61.36 -54.23 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -51.87 -56.89 11.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -57.3 -17.59 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.881 ' O ' HD13 ' A' ' 68' ' ' ILE . 81.3 mt -103.99 22.0 15.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.9 mm -113.23 -36.63 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.41 -37.88 56.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -55.88 -47.74 76.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 12.2 m-85 -103.88 41.53 1.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.0 t-80 -95.83 139.93 22.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.4 Cg_endo -69.71 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -61.51 -28.96 69.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -93.74 47.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -113.98 -176.29 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 53' ' ' VAL . 2.5 m -163.78 141.09 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.0 -51.12 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 50' ' ' SER . 13.6 m -64.87 136.27 96.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 111.09 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.11 8.54 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.47 -39.43 97.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.9 m -67.42 -47.2 70.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.779 0.323 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 ttm -50.41 -63.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -39.58 -55.27 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -58.78 -43.51 90.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.88 -37.26 13.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -60.27 -56.12 25.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.19 -50.84 15.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HE3' ' CE2' ' A' ' 44' ' ' TYR . 13.3 mmmt -57.25 -66.14 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -39.71 -54.29 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.43 -47.78 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -41.78 98.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.881 HD13 ' O ' ' A' ' 40' ' ' LEU . 28.9 mt -59.55 -52.87 55.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -60.54 -13.85 16.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -93.76 -38.59 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.494 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -62.6 -15.4 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 27.4 t-105 -96.99 -14.91 21.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.61 ' C ' HD12 ' A' ' 74' ' ' ILE . 45.3 mtpt -79.54 -13.91 59.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 73' ' ' LYS . 2.1 mp -116.23 -45.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 78.4 mt -85.17 -16.47 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -91.4 27.47 9.47 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 3.3 m-20 -139.67 -179.39 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -102.04 -39.58 7.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -75.47 -69.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.8 p -51.99 -44.98 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 19.9 tttt -58.23 -30.51 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -80.04 -30.46 39.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -77.97 -54.84 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -52.36 -34.59 48.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -50.29 33.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.876 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.48 -36.71 83.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -67.59 -54.29 21.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.83 140.94 56.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 p -156.05 177.22 11.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.32 -174.13 50.32 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.537 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 139.4 40.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.8 t -96.33 162.1 13.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.813 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.3 t -91.73 -58.56 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 m -114.66 115.91 27.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 p -93.08 170.84 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.53 68.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -134.66 121.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -108.27 174.39 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.41 77.19 1.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -47.12 141.68 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.79 0.329 . . . . 0.0 110.827 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.05 168.08 20.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -117.25 -36.19 3.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -132.16 95.6 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -74.87 -176.42 2.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -81.16 -6.55 58.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.176 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 mt -104.64 -55.15 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -45.87 -28.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HD2' ' CH2' ' A' ' 18' ' ' TRP . 24.4 ttmt -71.11 131.2 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -82.94 98.63 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CH2' ' HD2' ' A' ' 16' ' ' LYS . 61.5 m95 -76.34 -36.33 58.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.603 ' CD1' HD13 ' A' ' 75' ' ' LEU . 23.1 m-85 -61.48 -13.97 25.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 t -97.55 -34.54 10.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.45 -32.91 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 40.0 mt -96.8 10.72 38.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.01 40.24 35.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.51 179.51 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -110.69 156.19 41.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.702 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.81 -0.21 6.62 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 m -123.78 15.6 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.6 149.98 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.058 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -78.13 175.83 9.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 77' ' ' ASN . 2.1 tpt -74.32 -39.94 62.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 -8.04 47.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.88 -47.85 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.5 -44.62 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 15.5 ttpt -55.05 -52.73 62.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -47.18 -46.97 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -47.17 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CE1' HD11 ' A' ' 41' ' ' ILE . 16.3 t80 -57.46 -53.09 62.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.49 -59.65 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -55.89 -17.86 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.834 ' O ' HD13 ' A' ' 68' ' ' ILE . 84.7 mt -102.69 18.53 21.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.6 mm -110.94 -24.33 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.16 -4.27 24.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.72 -23.26 25.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' HD11 ' A' ' 68' ' ' ILE . 72.8 m-85 -121.99 -1.54 9.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -52.2 139.92 34.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.6 Cg_endo -69.73 -42.9 3.03 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.4 -43.53 85.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 29.0 mmtt -56.93 -27.83 61.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' ' CE ' ' A' ' 58' ' ' MET . 74.2 mm-40 -45.77 171.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.975 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.6 m -157.34 153.27 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.64 -21.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -54.2 -57.26 11.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.84 138.38 95.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.635 0.731 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -165.04 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.315 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.87 -37.73 16.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.13 -42.8 99.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.7 m -61.85 -38.83 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 111.154 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.406 ' CE ' ' HG3' ' A' ' 49' ' ' GLN . 6.3 tpt -50.81 -45.4 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.71 -54.14 31.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -63.2 -37.72 88.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -56.49 -42.65 78.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.0 tpt -56.18 -70.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -40.32 -46.13 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' CB ' ' CD1' ' A' ' 44' ' ' TYR . 33.5 mmtm -54.56 -53.8 49.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 68' ' ' ILE . 68.4 t80 -54.55 -65.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.559 HD12 ' H ' ' A' ' 66' ' ' ILE . 3.0 mp -41.77 -44.91 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -61.81 -49.24 77.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.834 HD13 ' O ' ' A' ' 40' ' ' LEU . 18.2 mt -58.8 -45.66 91.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 13.1 t0 -63.61 -9.18 12.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' OE1' HG22 ' A' ' 66' ' ' ILE . 48.8 mt-30 -101.51 -41.3 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.556 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -53.67 -18.83 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.552 ' CH2' ' HG3' ' A' ' 34' ' ' LYS . 45.2 t-105 -83.39 -45.08 14.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.64 ' C ' HD12 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -45.73 -23.85 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.2 mp -107.6 -57.34 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 19' ' ' TYR . 41.2 mt -87.52 26.68 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.54 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -104.09 -6.97 41.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.541 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' C ' ' SD ' ' A' ' 30' ' ' MET . 61.2 t30 -135.53 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -66.54 -45.51 79.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -62.33 -70.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.3 p -45.68 -46.37 14.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -57.04 -31.91 65.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -78.64 -53.05 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.765 ' HA ' HD12 ' A' ' 86' ' ' LEU . 9.5 ptpt -56.63 -37.09 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -61.53 -51.8 67.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -50.91 -36.31 37.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 83' ' ' LYS . 7.9 mt -71.39 -45.42 62.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -54.85 -38.29 67.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -42.97 157.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 m -88.95 -44.05 10.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.51 155.46 6.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -42.27 3.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.328 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.1 m -71.05 107.65 4.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -99.44 164.91 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -62.99 160.02 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -148.93 153.27 37.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 -105.06 1.29 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 62.12 27.16 16.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -59.64 148.9 32.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.79 -39.84 1.67 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.9 ttt -80.32 104.54 10.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.753 0.311 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' HG2' ' A' ' 12' ' ' GLN . . . -111.33 161.52 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 tp -81.15 -54.26 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.12 -62.62 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' HG2' ' HB3' ' A' ' 9' ' ' ALA . 12.5 mm-40 53.32 52.21 13.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.6 p -132.92 -50.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 16' ' ' LYS . 52.3 mt -71.16 -54.16 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -38.03 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 14' ' ' LEU . 2.5 ttmp? -83.57 139.64 32.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -88.78 126.95 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 47.6 m95 -97.74 -44.4 6.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 20.1 m-85 -56.33 -13.26 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -97.47 -38.83 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 18' ' ' TRP . 92.8 mt -66.78 -33.92 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 75' ' ' LEU . 38.4 mt -94.34 13.39 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 45.19 15.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB2' ' CE ' ' A' ' 36' ' ' LYS . . . -126.8 -179.91 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.98 157.91 37.31 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.568 0.699 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.72 -15.24 37.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.2 m -87.75 -13.7 41.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 174.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.19 -175.06 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.6 -56.16 11.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.7 m -51.25 -69.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -47.79 -60.42 2.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 75' ' ' LEU . 27.1 mt -46.8 -44.1 18.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -58.49 -46.63 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -52.64 -44.56 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' CE ' ' HB2' ' A' ' 24' ' ' ALA . 1.7 mppt? -68.88 -46.26 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 41' ' ' ILE . 34.8 t80 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -51.22 -60.73 2.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 pttt -53.64 -18.3 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -102.1 21.74 14.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 HD11 ' CE1' ' A' ' 37' ' ' TYR . 9.6 mm -114.93 -27.84 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.14 -7.22 26.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 39' ' ' LYS . 19.3 mt -84.64 -22.87 29.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -124.97 8.8 8.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 18.7 t-80 -61.54 139.71 95.05 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.621 0.724 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.78 -43.33 2.71 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -65.17 -30.91 71.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -89.17 46.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -119.05 -177.75 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.776 ' O ' HG22 ' A' ' 53' ' ' VAL . 11.5 t -161.99 138.74 8.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.35 -29.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' OD1' HG13 ' A' ' 53' ' ' VAL . 4.9 p30 -46.08 -39.95 10.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -72.79 138.92 79.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 172.59 12.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.43 -45.29 72.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.73 -39.41 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 m -64.37 -38.75 92.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -57.39 -51.1 70.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.85 -46.54 71.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -67.62 -40.15 84.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.1 m -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 5.5 ttt -62.97 -63.51 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' MET . 93.4 mm-40 -34.13 -36.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 62' ' ' MET . 3.0 mmpt? -73.16 -54.83 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 68' ' ' ILE . 81.1 t80 -47.21 -61.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.539 HD12 ' H ' ' A' ' 66' ' ' ILE . 2.4 mp -40.34 -57.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.171 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -55.12 -52.99 61.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.3 mt -48.17 -48.47 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.76 -20.05 63.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 34.9 mt-30 -89.51 -56.96 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.508 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -42.41 -23.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.478 ' O ' ' N ' ' A' ' 76' ' ' GLY . 49.9 t-105 -81.98 -37.48 26.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' GLN . 45.3 mttm -49.44 -33.14 13.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.599 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.3 mp -94.6 -49.67 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 HD12 ' A' ' 22' ' ' LEU . 22.3 mt -83.24 19.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -96.74 -40.64 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.535 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.6 167.0 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -81.61 -28.42 33.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -76.4 -59.89 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.466 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 43.9 p -54.76 -41.15 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -61.59 -35.14 77.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.497 ' O ' HD23 ' A' ' 86' ' ' LEU . 29.1 tttp -70.84 -48.18 55.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 37.5 mtmt -56.51 -54.4 46.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -47.42 -46.23 26.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.82 -48.34 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.71 -36.33 83.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.15 -57.95 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 1.5 ptm85 -54.42 149.52 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 m -114.82 172.82 6.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.43 160.13 9.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 -47.05 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 t -169.09 150.67 4.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.5 m -72.02 -62.13 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -72.65 115.58 12.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -106.25 45.53 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.72 54.68 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 38.03 47.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 55.26 48.56 19.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.6 -179.27 49.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptm -87.46 164.63 16.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.35 146.0 51.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.1 tp -83.54 -46.53 12.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -88.26 48.66 1.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.21 89.83 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.8 p -140.22 175.29 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 mt 64.69 31.81 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -122.44 -50.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -71.84 138.34 48.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.949 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.51 117.41 8.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CE3' HD12 ' A' ' 21' ' ' ILE . 34.9 m95 -94.68 -36.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 24.2 m-85 -62.62 -13.29 29.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.16 -38.86 9.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.596 HD12 ' CE3' ' A' ' 18' ' ' TRP . 72.5 mt -64.15 -38.35 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 14.6 mt -92.94 14.33 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.32 43.17 13.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.14 -176.33 3.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -121.16 154.63 58.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.2 Cg_endo -69.75 -2.47 10.22 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.371 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.7 p -105.34 -6.15 19.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.07 -179.52 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 -123.93 172.66 8.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.444 ' CE ' ' O ' ' A' ' 76' ' ' GLY . 45.5 tpp -52.28 -44.15 64.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -57.18 -62.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -47.81 -65.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mt -43.33 -62.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -38.3 -45.85 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.69 -44.91 96.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.35 -43.44 90.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.635 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.6 t80 -59.67 -53.58 56.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -51.0 -59.23 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' O ' HD12 ' A' ' 43' ' ' LEU . 13.5 ptmt -54.47 -21.45 9.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' HD13 ' A' ' 68' ' ' ILE . 95.0 mt -100.55 20.73 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.935 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.635 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.2 mm -113.54 -41.16 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -84.56 -9.22 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 42' ' ' LEU . 30.2 mt -81.25 -23.05 38.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HE2' ' A' ' 64' ' ' LYS . 26.1 m-85 -126.94 19.57 7.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 t-80 -71.65 140.11 83.96 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.578 0.704 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.52 -41.58 84.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -77.45 46.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -111.13 -178.09 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.6 t -163.13 133.67 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -35.42 -38.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -38.22 -51.35 1.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 50' ' ' SER . 22.0 m -65.24 138.24 97.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.625 0.726 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -170.43 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.67 -37.74 19.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.32 -41.22 92.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -65.45 -36.17 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.0 tpt -60.21 -45.14 94.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.54 -50.18 74.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -66.28 -37.15 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.1 t -51.62 -46.19 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.5 tpt -54.4 -50.6 67.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -48.9 -57.03 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 65' ' ' PHE . 22.2 mmmt -52.47 -70.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HA ' HD12 ' A' ' 68' ' ' ILE . 75.6 t80 -35.2 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.9 mt -53.09 -56.45 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.27 -43.52 87.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.813 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -57.05 -41.85 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.81 -15.16 63.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -94.33 -36.34 12.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -66.01 -19.85 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 41.6 t-105 -90.73 -30.35 17.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.7 mttt -57.65 -31.53 66.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.41 -40.07 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 18' ' ' TRP . 68.3 mt -93.31 19.36 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.444 ' O ' ' CE ' ' A' ' 30' ' ' MET . . . -95.11 -53.08 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -87.29 162.19 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -74.6 -29.85 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.21 -50.89 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.9 p -63.48 -41.6 98.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 81' ' ' LYS . 1.3 ttmp? -68.39 -31.65 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.493 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.5 tttt -69.93 -42.85 72.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -65.02 -57.35 8.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 87' ' ' GLN . 41.1 t80 -39.49 -60.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.5 t70 -36.44 -49.35 0.72 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -62.19 -41.97 98.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' TYR . 8.8 mm100 -61.01 -57.88 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.2 137.38 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.3 t -63.5 122.02 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -141.21 -165.82 10.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -34.91 13.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.299 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 t -48.41 153.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.2 t -115.77 88.66 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -100.22 40.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -105.22 161.86 13.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 75.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t 64.0 47.08 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -120.02 79.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.806 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.0 173.93 13.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -44.34 166.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.43 130.42 43.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 mp -82.14 -48.22 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -108.85 118.44 36.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.6 45.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.3 p -134.95 178.02 7.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.0 mt 48.98 41.38 18.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.93 -49.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 21' ' ' ILE . 19.5 tttp -71.84 143.18 49.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -75.19 97.48 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.554 ' CE3' HD12 ' A' ' 21' ' ' ILE . 42.2 m95 -76.75 -33.31 58.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 26' ' ' PRO . 47.0 m-85 -63.21 -14.41 48.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -98.83 -43.04 6.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.554 HD12 ' CE3' ' A' ' 18' ' ' TRP . 91.6 mt -56.85 -36.1 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.143 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 37.3 mt -94.12 0.05 55.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.26 41.98 99.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -120.5 -177.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -108.16 151.21 41.28 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.621 0.724 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HA ' ' CE1' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.8 -2.34 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.5 22.56 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.69 178.07 7.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -111.31 -176.41 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.411 ' HE1' ' O ' ' A' ' 75' ' ' LEU . 7.8 mmt -64.66 -55.62 19.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.8 t -47.29 -51.84 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -71.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD23 ' CB ' ' A' ' 24' ' ' ALA . 66.5 mt -41.2 -47.83 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -58.11 -55.42 35.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -43.68 -52.11 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -60.39 -58.74 7.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.624 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 66.1 t80 -41.15 -58.77 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -50.91 -38.79 52.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -72.17 -19.89 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 22' ' ' LEU . 61.1 mt -102.18 10.07 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.624 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 12.1 mm -102.95 -22.13 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.73 -3.99 24.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.9 mt -88.2 -23.11 23.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 85.0 m-85 -124.15 3.13 8.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.3 t-80 -55.13 140.34 62.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 0.0 110.884 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.8 Cg_endo -69.77 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -60.56 -41.19 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.54 49.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -123.81 -175.95 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.572 ' O ' HG22 ' A' ' 53' ' ' VAL . 1.8 m -174.07 153.87 2.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.61 -25.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -46.72 -49.07 20.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 50' ' ' SER . 18.8 m -74.48 138.05 74.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.634 0.73 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 167.37 24.64 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.48 92.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.47 -34.98 35.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -72.68 -33.21 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.9 tpt -61.74 -50.58 71.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.5 -53.43 54.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.5 -39.67 95.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -49.44 -38.86 31.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' GLN . 6.4 tpt -62.22 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' MET . 36.6 mm-40 -36.7 -49.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 18.9 mmmt -61.85 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.541 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.3 t80 -39.1 -42.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -60.9 -56.14 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -56.82 -46.32 81.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 65' ' ' PHE . 18.2 mt -56.06 -38.36 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.183 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -68.51 -15.39 63.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -94.16 -44.12 8.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.41 -30.84 13.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.526 ' CZ3' ' HA2' ' A' ' 76' ' ' GLY . 27.4 t-105 -82.56 -31.26 29.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -61.64 -32.69 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 74' ' ' ILE . 5.3 mm -91.2 -50.63 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' O ' ' HE1' ' A' ' 30' ' ' MET . 31.6 mt -75.79 -53.56 8.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.526 ' HA2' ' CZ3' ' A' ' 72' ' ' TRP . . . -42.95 -32.12 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.455 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -75.38 -177.11 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.04 -37.17 3.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -75.61 -51.4 12.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.1 p -72.98 -22.28 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -77.61 -37.36 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -73.63 -40.58 63.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HA ' HD12 ' A' ' 86' ' ' LEU . 10.7 mtpt -69.73 -42.97 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -46.9 -59.33 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -42.28 -42.28 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.8 mt -70.86 -42.87 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -55.98 -42.35 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -73.32 0.93 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -128.92 123.61 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.43 146.17 17.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.511 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.74 6.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.7 m -111.45 158.72 18.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -51.26 109.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -58.35 124.12 18.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -88.03 129.43 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.97 -154.94 8.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -80.17 140.83 36.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.868 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 m -96.36 -49.11 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.64 -101.17 0.15 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mmt 49.32 47.8 21.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.95 40.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 10' ' ' LEU . 6.7 mp 42.97 36.21 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 53.09 54.95 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -62.44 151.71 36.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.9 t -48.03 -26.98 2.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 87' ' ' GLN . 7.6 mt -86.02 -56.07 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -41.46 -32.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.33 153.74 43.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.64 103.65 12.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 45.0 m95 -76.32 -41.71 47.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 42.8 m-85 -58.71 -14.07 7.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.0 m -97.45 -36.52 10.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.4 -38.89 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 75' ' ' LEU . 24.0 mt -90.21 9.72 27.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.38 42.5 50.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.65 -176.42 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.77 0.319 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -110.11 153.06 43.43 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.563 0.697 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.74 -13.49 34.8 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -115.46 30.77 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.13 -176.46 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.68 160.11 18.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.04 -54.33 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.9 m -54.4 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.27 -57.0 2.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.0 mt -53.57 -51.46 62.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -54.39 -44.91 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -52.85 -47.49 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HA ' ' CG ' ' A' ' 39' ' ' LYS . 1.5 mptp? -67.89 -35.14 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.22 -49.09 75.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -59.06 -55.01 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' ' HG ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.32 -12.49 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD13 ' A' ' 68' ' ' ILE . 38.7 mt -105.36 11.71 32.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.97 -22.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.51 -7.68 22.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.05 -23.23 26.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -123.31 4.68 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.6 t-80 -56.23 140.04 72.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.68 -47.56 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.02 -34.21 73.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -82.89 53.2 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -132.92 178.9 6.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.673 ' O ' HG22 ' A' ' 53' ' ' VAL . 16.0 t -166.68 153.62 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' ASP . . . -44.59 -34.8 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -36.76 -54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 50' ' ' SER . 25.3 m -65.06 140.07 97.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.688 0.756 . . . . 0.0 111.087 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.74 15.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 -20.07 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.57 -26.01 57.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 93.3 m -73.42 -40.84 63.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 2.9 tpt -54.28 -55.72 25.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -43.32 -63.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -54.2 -38.94 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 t -50.74 -41.05 56.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.643 ' HG3' HD11 ' A' ' 66' ' ' ILE . 4.8 tpt -68.7 -57.86 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -42.59 -42.55 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -69.46 -66.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' HA ' HD12 ' A' ' 68' ' ' ILE . 76.5 t80 -40.63 -46.88 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.643 HD11 ' HG3' ' A' ' 62' ' ' MET . 42.2 mt -57.17 -58.02 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -52.11 -48.4 64.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.65 HD13 ' O ' ' A' ' 40' ' ' LEU . 23.3 mt -52.79 -44.36 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -65.46 -9.66 27.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.75 -49.97 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -48.3 -26.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' GLY . 47.9 t-105 -83.54 -27.14 29.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' HD13 ' A' ' 74' ' ' ILE . 4.6 mmpt? -64.79 -16.51 63.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 73' ' ' LYS . 3.8 mm -107.82 -39.79 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.516 HD12 HD12 ' A' ' 22' ' ' LEU . 39.6 mt -97.32 7.92 45.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -78.65 -46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -95.69 151.27 19.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.14 -35.79 81.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -67.9 -56.38 9.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.464 ' HA ' ' CE ' ' A' ' 83' ' ' LYS . 40.0 p -58.81 -32.02 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 37.0 tttt -70.31 -40.37 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -72.43 -27.37 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' CE ' ' HA ' ' A' ' 80' ' ' THR . 38.6 mtmt -76.2 -43.23 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -65.67 -46.59 78.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.74 -27.58 51.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.52 -30.27 52.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.8 mm100 -73.07 -45.82 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -41.8 130.72 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.3 m -60.75 -48.44 81.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.81 166.86 14.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 98.26 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.244 . . . . 0.0 112.32 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -155.05 166.42 33.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 m -77.19 106.06 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -72.95 -60.11 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -76.72 170.29 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.81 87.98 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -155.71 118.09 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 m -51.4 -55.14 20.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.67 94.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.51 113.25 25.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.79 0.329 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . . . -162.43 167.15 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.6 pt? -76.46 -22.35 54.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -62.83 -40.45 97.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 13' ' ' THR . 2.6 mp0 -70.71 -64.17 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 12' ' ' GLN . 24.6 p -35.37 -52.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -65.8 -61.7 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -38.35 -40.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 18' ' ' TRP . 20.9 mmtp -59.51 103.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.1 86.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 32.2 m95 -63.87 -39.3 93.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 28.2 m-85 -61.81 -15.27 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.88 -40.61 8.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 67' ' ' GLU . 51.9 mt -62.96 -36.42 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' CD2' HG23 ' A' ' 68' ' ' ILE . 54.6 mt -91.25 3.9 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.24 40.03 83.38 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.471 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HB2' ' HE3' ' A' ' 36' ' ' LYS . . . -120.88 -178.04 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 28' ' ' ALA . 0.3 OUTLIER -109.84 153.25 43.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.848 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.1 Cg_endo -69.79 -10.11 27.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -99.45 -6.57 27.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB2' ' OD2' ' A' ' 25' ' ' ASP . . . -67.76 175.45 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -127.33 174.07 9.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -47.17 -47.31 23.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -52.09 -59.92 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.15 -67.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.804 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.2 mt -39.68 -44.78 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -54.23 -49.86 68.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -56.63 -47.06 80.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' HE3' ' HB2' ' A' ' 24' ' ' ALA . 0.1 OUTLIER -63.89 -36.2 83.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.839 ' CE1' HD11 ' A' ' 41' ' ' ILE . 35.5 t80 -67.52 -56.49 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -49.57 -55.08 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.669 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 ptmt -58.29 -22.05 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.833 ' O ' HD13 ' A' ' 68' ' ' ILE . 88.3 mt -101.53 20.6 15.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.839 HD11 ' CE1' ' A' ' 37' ' ' TYR . 7.7 mm -111.27 -35.07 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -92.07 -6.1 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD12 ' O ' ' A' ' 39' ' ' LYS . 20.8 mt -85.03 -22.26 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 64' ' ' LYS . 75.2 m-85 -124.65 2.62 8.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.537 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 14.6 t-80 -55.04 140.16 62.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.71 -39.95 5.99 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.406 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -68.24 -47.31 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 30.3 mmtt -52.91 -30.95 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 162.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 52' ' ' ASP . 10.6 t -153.06 144.98 23.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.2 -25.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.9 t0 -50.47 -54.88 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 50' ' ' SER . 11.6 m -67.91 138.95 92.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.628 0.728 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.05 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.377 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.65 -32.14 16.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.65 -47.9 82.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -56.9 -42.27 79.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.142 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 59' ' ' GLU . 28.4 tpp -44.76 -60.24 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' MET . 33.2 tt0 -37.04 -57.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.5 -45.94 92.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.4 m -50.04 -34.83 22.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 64' ' ' LYS . 6.1 tpt -69.2 -70.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' MET . 89.4 mm-40 -36.77 -31.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 44' ' ' TYR . 2.0 mmpt? -69.9 -62.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.1 t80 -44.65 -57.47 3.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.474 HD12 ' H ' ' A' ' 66' ' ' ILE . 2.1 mp -46.97 -55.26 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' HB3' HG21 ' A' ' 21' ' ' ILE . 31.6 mt-10 -54.48 -51.83 63.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.833 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.9 mt -53.33 -60.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.11 -26.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -86.73 -54.6 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.552 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.6 -25.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' GLY . 25.7 t-105 -80.69 -38.59 28.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' GLN . 43.2 mtpt -48.4 -37.25 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.7 mp -93.26 -50.15 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 19' ' ' TYR . 17.8 mt -85.34 25.83 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -118.63 -36.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.474 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 78' ' ' GLU . 44.9 t-20 -104.57 113.18 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.872 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 77' ' ' ASN . 1.6 mp0 -34.53 -48.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -50.4 -61.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.1 p -59.73 -57.25 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -41.13 -44.66 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -61.1 -59.03 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -49.31 -43.36 43.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.76 -59.74 4.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -44.15 -36.43 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.31 -57.61 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -48.83 -40.99 31.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -37.55 -58.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.4 m -75.19 152.96 38.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.32 -170.38 29.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 127.52 14.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.7 t -77.77 83.61 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -149.5 177.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -110.97 86.49 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 m -122.49 150.06 43.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.77 92.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -142.97 112.67 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 p -80.92 42.27 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.29 -85.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mtt 63.05 50.44 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.47 116.13 31.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.98 -37.74 58.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.72 109.56 18.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -148.02 172.8 13.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.4 p -127.71 -57.77 1.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -82.03 -59.07 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -43.12 -43.4 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -66.92 91.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.39 130.69 27.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 68.4 m95 -97.77 -42.65 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 37.7 m-85 -56.57 -13.22 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -98.38 -39.99 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.478 HD12 ' CE3' ' A' ' 18' ' ' TRP . 62.9 mt -62.36 -35.23 68.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.4 mt -93.91 7.44 44.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.02 43.52 61.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -123.19 -177.02 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.54 153.61 42.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.743 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 54.4 Cg_endo -69.76 -0.78 7.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -125.8 29.97 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.92 171.51 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 30' ' ' MET . 59.9 m-80 -104.11 151.61 23.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -36.19 -52.92 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' ASP . 30.0 t -54.67 -68.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.7 m-20 -35.7 -61.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.424 HD22 HD13 ' A' ' 75' ' ' LEU . 37.6 mt -47.01 -55.92 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -51.52 -53.38 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -47.03 -48.38 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -63.07 -54.79 32.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.9 t80 -49.34 -59.66 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.53 -38.94 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -74.43 -24.98 59.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' ILE . 76.8 mt -97.58 16.66 19.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.541 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 5.9 mm -108.43 -26.15 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.49 -32.83 23.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.1 mt -63.67 -44.93 92.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 64' ' ' LYS . 13.5 m-85 -103.07 31.75 4.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 24.0 t-80 -84.93 139.4 37.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.73 -41.3 4.44 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.92 -35.2 80.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -66.71 -30.64 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -46.15 159.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.6 m -169.34 165.74 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.79 -24.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -52.27 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.2 138.42 97.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.47 3.68 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -38.5 73.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.27 -58.74 11.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' MET . 91.5 m -39.49 -56.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 111.186 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 10.2 tpt -35.75 -56.55 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -50.99 -43.32 60.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' THR . 6.0 mm-40 -66.81 -44.25 81.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.97 -54.2 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.9 tpt -42.22 -61.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -46.11 -55.05 7.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 44' ' ' TYR . 13.4 mmmt -55.97 -62.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HA ' HD12 ' A' ' 68' ' ' ILE . 83.7 t80 -42.48 -44.85 4.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.5 mt -57.22 -57.38 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -46.78 69.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 40' ' ' LEU . 37.6 mt -56.22 -50.16 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.11 -17.2 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 44.5 mt-30 -90.5 -51.31 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -43.64 -30.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 48.9 t-105 -76.85 -36.12 57.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' GLN . 28.7 mmmt -49.73 -33.4 15.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 74' ' ' ILE . 4.0 mp -96.06 -72.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.424 HD13 HD22 ' A' ' 33' ' ' LEU . 73.1 mt -52.59 -37.71 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -56.34 -39.76 83.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -79.47 176.59 9.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -103.81 -43.23 5.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -64.69 -57.37 9.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 83' ' ' LYS . 40.7 p -61.82 -54.08 47.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -37.85 -40.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 17.3 ttpt -74.5 -43.29 56.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.2 mtmm -57.02 -46.94 81.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 87' ' ' GLN . 50.0 t80 -53.08 -60.36 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -39.86 -49.82 2.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.554 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -63.65 -36.86 85.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 84' ' ' TYR . 10.9 mm100 -65.2 -58.34 6.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ptt85 -51.97 127.16 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 p -81.29 -8.98 59.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 117.49 156.15 10.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 140.34 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 p 42.55 41.48 2.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 71.22 43.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -73.55 118.33 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.16 67.33 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -117.61 135.67 53.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -172.45 155.36 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.67 -113.03 3.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttt -50.69 142.75 10.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.56 160.88 39.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.58 -48.19 5.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.647 ' HB3' HD12 ' A' ' 14' ' ' LEU . 21.3 mt-10 -94.04 40.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 13' ' ' THR . 39.8 mt-30 -40.9 -57.52 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 12' ' ' GLN . 42.6 p -34.61 -66.23 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 11' ' ' GLU . 10.0 mt -56.41 -50.95 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -43.15 -37.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HE2' ' CH2' ' A' ' 18' ' ' TRP . 3.6 ttpm? -75.93 115.46 15.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.93 129.74 43.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CE3' HD12 ' A' ' 21' ' ' ILE . 60.9 m95 -103.51 -38.74 7.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 34.1 m-85 -62.79 -13.52 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -97.1 -36.99 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.58 HD12 ' CE3' ' A' ' 18' ' ' TRP . 94.9 mt -63.94 -38.42 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 71' ' ' ALA . 15.4 mt -92.09 3.31 55.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.08 43.78 96.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -121.94 179.98 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -107.58 153.5 41.34 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.431 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 54.0 Cg_endo -69.75 -0.48 6.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.74 2.294 . . . . 0.0 112.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -123.24 26.71 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.0 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -108.14 158.43 17.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 30' ' ' MET . 0.3 OUTLIER -41.9 -51.36 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 t -55.07 -55.29 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.25 -62.66 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 mt -46.63 -49.75 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HA ' ' CZ3' ' A' ' 72' ' ' TRP . 16.9 tttt -51.05 -57.74 7.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -44.1 -47.61 8.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -65.03 -47.12 78.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.816 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 75.0 t80 -54.42 -60.21 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.57 -61.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -55.39 -21.68 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.772 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.1 mt -101.38 19.73 17.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 9.2 mm -110.04 -33.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -94.56 -8.7 37.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 40' ' ' LEU . 22.7 mt -80.23 -22.71 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 50.4 m-85 -125.45 13.87 8.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.55 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 9.7 t-80 -75.43 141.16 72.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.3 Cg_endo -69.8 -41.08 4.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -67.46 -43.01 82.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HZ2' ' CE1' ' A' ' 45' ' ' HIS . 6.9 mptt -75.68 48.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -119.05 -179.63 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.53 ' O ' HG22 ' A' ' 53' ' ' VAL . 3.0 m -159.94 141.17 12.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.81 -21.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.84 -53.25 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 50' ' ' SER . 12.9 m -62.73 139.97 97.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.595 0.712 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 173.55 10.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.84 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -69.01 -30.23 72.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.1 m -73.01 -52.09 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -40.04 -51.46 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -54.37 -50.72 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -59.42 -38.65 81.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.31 -51.54 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.2 tpt -48.83 -60.8 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -40.95 -59.47 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 44' ' ' TYR . 19.1 mmmt -56.11 -68.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.583 ' HA ' HD12 ' A' ' 68' ' ' ILE . 86.2 t80 -35.09 -42.14 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.69 -51.73 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -59.16 -41.56 88.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 40' ' ' LEU . 32.1 mt -60.29 -59.95 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -46.59 -22.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -84.07 -55.87 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.514 ' HB3' HD21 ' A' ' 22' ' ' LEU . . . -41.71 -34.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.547 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 36.1 t-105 -67.85 -42.45 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' HD12 ' A' ' 74' ' ' ILE . 23.1 mtpp -45.86 -34.2 3.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -102.63 -57.03 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.7 mt -84.52 33.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.96 -32.82 1.47 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -102.97 152.02 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -65.18 -22.98 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -84.65 -74.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 p -44.9 -48.01 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -48.17 -45.48 33.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.1 tttp -63.82 -47.39 81.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -49.52 -55.82 12.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -40.75 -59.69 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.23 -61.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.9 mm? -55.36 -48.3 74.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.599 HE21 HD13 ' A' ' 14' ' ' LEU . 17.3 mm100 -48.12 -57.79 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' GLN . 12.3 mtm105 -34.51 130.29 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -130.76 118.81 21.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -123.57 -158.17 10.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.87 3.14 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.682 2.254 . . . . 0.0 112.367 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.3 t -169.75 105.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 85.8 p -41.98 130.73 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -70.71 91.27 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -162.93 142.88 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -75.27 74.73 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 64.9 p -36.81 132.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -78.49 114.74 17.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -161.28 107.73 0.33 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 21.8 mtm 34.84 47.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.02 148.08 46.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 11' ' ' GLU . 1.2 pt? -75.72 -24.5 56.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 10' ' ' LEU . 1.3 pp20? -132.63 123.06 25.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -120.06 44.96 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.2 p -98.53 -46.34 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -75.54 -50.49 15.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -44.58 -45.42 9.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -63.3 145.79 54.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.28 102.12 13.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 70' ' ' GLN . 43.1 m95 -75.39 -31.28 60.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 26.7 m-85 -67.66 -14.48 62.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -98.53 -37.58 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.459 HD12 ' CE3' ' A' ' 18' ' ' TRP . 59.1 mt -66.53 -33.4 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.159 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 75' ' ' LEU . 31.5 mt -97.61 7.86 45.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.48 40.62 54.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -118.74 175.89 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.455 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -107.26 155.61 39.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.7 Cg_endo -69.77 -3.0 11.13 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.317 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.9 m -123.79 3.86 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . . . -58.07 167.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -98.01 151.53 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.4 tpt -43.26 -52.15 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 t -52.7 -51.18 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.63 -65.27 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD23 ' CB ' ' A' ' 24' ' ' ALA . 65.3 mt -40.36 -63.02 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -45.6 -58.48 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -43.99 -44.79 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 -52.97 23.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CE1' HD11 ' A' ' 41' ' ' ILE . 30.9 t80 -49.78 -53.59 24.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -54.84 -40.55 69.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' O ' HD12 ' A' ' 43' ' ' LEU . 10.1 tttt -70.19 -15.38 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.808 ' O ' HD13 ' A' ' 68' ' ' ILE . 45.8 mt -105.45 8.79 33.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.582 HD11 ' CE1' ' A' ' 37' ' ' TYR . 14.9 mm -102.67 -21.16 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 -2.87 24.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 39' ' ' LYS . 27.2 mt -88.52 -23.33 23.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.484 ' CZ ' ' HE3' ' A' ' 64' ' ' LYS . 88.5 m-85 -123.82 -0.48 8.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 t-80 -50.2 140.17 17.52 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.571 0.701 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.72 -43.55 2.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -67.27 -46.41 73.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 37.2 mmtt -54.39 -26.06 28.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -45.94 172.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.6 m -163.97 154.4 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.52 -26.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -48.02 -62.21 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 m -65.25 139.98 97.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 -30.23 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.56 -51.62 30.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.7 m -53.0 -37.36 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.3 mmm -50.86 -53.03 35.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.46 -45.93 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -69.61 -22.55 63.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.7 t -66.84 -38.93 87.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -62.54 -56.05 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -46.45 -57.73 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HE3' ' CZ ' ' A' ' 44' ' ' TYR . 19.4 mmmt -53.87 -59.41 4.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.742 ' HA ' HD12 ' A' ' 68' ' ' ILE . 77.6 t80 -46.62 -56.28 6.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.7 mt -46.13 -47.18 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -63.73 -41.87 97.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 40' ' ' LEU . 24.9 mt -60.18 -44.4 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.13 -15.88 63.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.576 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 68.6 mt-30 -93.53 -36.25 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 18' ' ' TRP . . . -66.33 -9.61 34.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.579 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 44.7 t-105 -97.6 -26.42 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -66.53 -19.6 65.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.14 -46.56 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 22' ' ' LEU . 43.0 mt -93.59 26.78 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -27.09 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -105.66 121.46 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -42.98 -35.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.38 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.1 p -56.41 -61.75 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -39.03 -35.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.536 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.5 tmtt? -72.17 -50.12 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -59.77 -44.93 93.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' ASP . 19.1 t80 -48.36 -67.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' TYR . 8.2 t0 -35.71 -48.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.536 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -64.71 -50.97 64.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -52.8 -47.42 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.9 mtp-105 -39.28 123.06 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.8 m -110.0 -58.91 2.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.38 178.16 30.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.68 63.5 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.4 m -133.2 143.37 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.3 t -162.5 147.93 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -164.35 175.14 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -173.9 122.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 84.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -109.66 136.9 48.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 0.0 110.851 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -108.66 94.37 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.69 112.9 3.3 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 ptp -117.75 134.67 54.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.838 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.88 169.47 10.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 10' ' ' LEU . 4.2 pp -122.73 -19.72 6.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -128.96 75.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -128.02 163.24 24.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.7 p -123.69 -25.5 4.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 HE21 ' A' ' 87' ' ' GLN . 69.8 mt -107.96 -48.78 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -41.95 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -51.66 157.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -113.65 86.87 2.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.509 ' CE3' HD12 ' A' ' 21' ' ' ILE . 11.6 m95 -65.43 -41.48 93.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 21.5 m-85 -60.1 -14.67 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -101.16 -40.9 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.802 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.509 HD12 ' CE3' ' A' ' 18' ' ' TRP . 29.1 mt -65.74 -21.91 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 75' ' ' LEU . 51.6 mt -107.7 11.58 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.1 42.77 17.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.415 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -121.78 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.79 0.329 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.3 156.24 40.58 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.72 -4.02 13.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -120.71 29.04 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.49 170.76 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.056 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -110.43 152.73 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.0 mmm -40.55 -49.36 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.7 m -51.79 -51.78 53.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.38 -60.76 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 75' ' ' LEU . 21.8 mt -45.66 -41.28 10.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' CH2' ' A' ' 72' ' ' TRP . 27.5 tttt -65.13 -45.07 86.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.45 -45.7 84.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.53 -37.41 86.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 72' ' ' TRP . 4.4 t80 -66.8 -61.54 1.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 37.2 mt-30 -52.48 -29.65 25.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 4.2 tptt -82.24 -25.07 34.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.778 ' O ' HD13 ' A' ' 68' ' ' ILE . 67.4 mt -95.72 16.19 18.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mm -105.92 -33.94 2.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -74.83 -31.09 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.46 ' CD1' ' HE3' ' A' ' 39' ' ' LYS . 22.7 mt -67.26 -24.83 65.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 29.4 m-85 -107.03 -27.29 10.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t-80 -38.11 140.26 0.58 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.822 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.1 Cg_endo -69.8 -43.81 2.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -70.16 -27.13 64.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.9 mmtt -86.69 45.58 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -125.06 174.02 8.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 53' ' ' VAL . 29.2 t -159.13 153.74 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.96 -25.09 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -49.85 -56.25 11.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 50' ' ' SER . 5.0 m -64.93 138.97 97.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.711 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 176.46 6.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.351 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.41 -36.32 78.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.4 -46.69 93.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.2 m -51.49 -36.52 44.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' CYS . 34.5 tpp -65.6 -66.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -38.31 -42.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -73.84 -40.27 63.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.42 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.2 m -51.26 -27.63 9.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -71.65 -62.26 1.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -47.95 -37.79 15.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 13.1 mmtp -75.23 -57.79 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.403 ' HA ' HD12 ' A' ' 68' ' ' ILE . 43.0 t80 -44.99 -41.38 7.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 ' O ' ' NE2' ' A' ' 70' ' ' GLN . 65.8 mt -65.93 -44.72 92.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.73 -39.02 92.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.2 mt -61.82 -49.65 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 47.4 t0 -55.89 -18.24 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -93.77 -50.21 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -45.02 -25.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 39.1 t-105 -90.94 -27.53 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' GLN . 18.6 mtpp -59.28 -46.45 88.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.93 -48.05 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.646 HD12 HD12 ' A' ' 22' ' ' LEU . 9.8 mt -57.09 -61.86 2.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.42 -40.46 6.19 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 48.4 t-20 -74.97 121.87 22.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -71.48 -23.8 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -69.84 -58.97 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -72.42 -46.33 55.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 12.9 tttp -47.28 -28.71 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -71.06 -48.91 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -67.11 -36.31 81.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -60.86 -64.29 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.11 -53.79 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.04 -45.29 79.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.529 HE21 HD13 ' A' ' 14' ' ' LEU . 6.3 mm100 -54.51 -47.85 72.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 87' ' ' GLN . 33.3 mtp85 -35.26 -55.29 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' GLY . 94.2 p -74.12 101.46 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' SER . . . -34.42 144.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.78 51.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.625 2.217 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.6 m -143.31 113.16 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.5 t -105.93 95.45 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -112.16 117.93 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.865 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 p -71.87 -56.12 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.86 176.91 14.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -73.35 161.32 30.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -166.77 154.17 9.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.34 -143.2 3.78 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 tpt -164.83 128.57 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.76 159.51 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.774 ' H ' HD23 ' A' ' 10' ' ' LEU . 1.5 pt? -109.75 -40.16 4.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG ' ' A' ' 10' ' ' LEU . 72.0 mm-40 -154.74 118.24 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -136.29 161.4 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 t -73.61 -32.63 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD22 ' HG3' ' A' ' 87' ' ' GLN . 15.3 mt -88.05 -47.05 8.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -55.36 -28.18 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -82.7 153.53 25.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 13.5 m-20 -104.14 129.76 51.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 41.3 m95 -100.55 -37.9 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 34.7 m-85 -60.04 -13.35 11.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 m -99.4 -38.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 17' ' ' ASP . 46.3 mt -64.33 -37.42 79.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 75' ' ' LEU . 32.4 mt -92.23 7.45 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.79 42.97 53.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.477 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -119.28 -175.13 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -111.22 150.81 42.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.3 Cg_endo -69.8 -0.17 6.56 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.682 2.255 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 m -130.15 25.48 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.28 164.16 18.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' MET . 54.1 m-20 -89.0 142.69 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' ASN . 33.9 tpp -37.26 -46.09 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.97 -53.36 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.44 -58.06 7.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.3 mt -48.87 -42.49 36.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.93 -44.11 97.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -56.42 -47.84 78.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -48.06 80.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 41' ' ' ILE . 45.8 t80 -52.71 -62.49 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.92 -45.13 50.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -67.49 -27.47 67.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.752 ' O ' HD13 ' A' ' 68' ' ' ILE . 91.6 mt -97.01 15.88 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.717 HD11 ' CE1' ' A' ' 37' ' ' TYR . 2.8 mm -106.54 -30.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -78.71 -31.94 46.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.6 -37.05 86.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 37.8 m-85 -110.54 33.16 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 10.9 t-80 -94.07 140.35 22.86 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.6 Cg_endo -69.82 -45.92 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -67.82 -46.53 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 20.1 mmtm -58.88 -11.54 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -52.25 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.0 m -171.51 157.93 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.71 -10.12 3.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.19 -43.19 78.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 50' ' ' SER . 19.3 m -70.67 139.05 85.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.665 0.745 . . . . 0.0 111.077 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.53 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.723 2.282 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.82 -2.19 58.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -98.8 -42.57 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.2 m -58.02 -48.3 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 0.0 111.183 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.3 tpt -42.18 -62.81 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -44.35 -41.75 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -67.88 -40.88 83.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 m -55.21 -16.07 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.9 tpt -80.88 -56.64 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -53.05 -29.99 33.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -79.98 -56.17 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -47.21 -48.42 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -51.82 -58.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -54.01 -50.83 65.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 40' ' ' LEU . 60.0 mt -53.86 -39.79 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.93 -10.24 57.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.66 -40.98 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -57.19 -17.99 13.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 76' ' ' GLY . 51.6 t-105 -96.3 -38.36 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -47.87 -40.27 21.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mp -88.83 -54.51 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 22' ' ' LEU . 59.0 mt -61.6 -60.5 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 72' ' ' TRP . . . -39.02 -33.97 0.27 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -75.85 179.4 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.34 -43.03 3.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.01 -59.7 2.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.0 p -61.47 -29.29 69.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 11.6 tmtt? -75.44 -36.08 60.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -72.04 -35.0 69.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -75.53 -51.73 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -52.26 -47.16 65.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.81 -30.59 10.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.4 mt -80.67 -38.22 29.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HG3' HD22 ' A' ' 14' ' ' LEU . 6.4 mm-40 -53.44 -40.76 65.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 11.1 mtm105 -46.45 103.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 77.2 p -104.17 143.23 33.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.98 156.82 12.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.9 10.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 t -46.22 128.97 10.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -38.63 -62.83 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.435 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -42.82 138.27 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.352 . . . . 0.0 110.85 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -88.21 81.63 7.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.51 -133.46 2.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -127.92 90.19 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -46.96 131.54 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . -171.81 179.25 43.62 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' GLY . 12.4 ptp 37.58 28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -81.05 163.89 22.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tp -57.22 -42.37 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -121.57 49.99 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -51.33 -29.9 16.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.0 p -57.5 -50.45 73.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.47 -47.27 27.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -42.21 -48.58 4.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE3' ' CZ3' ' A' ' 18' ' ' TRP . 16.6 ttpt -71.93 142.85 49.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.27 141.49 30.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CE3' HD12 ' A' ' 21' ' ' ILE . 48.3 m95 -113.93 -44.84 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -56.19 -13.79 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -97.21 -35.9 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.728 HD13 ' HB3' ' A' ' 67' ' ' GLU . 61.9 mt -65.08 -38.83 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.173 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 23.8 mt -89.21 6.98 37.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.39 43.68 84.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -122.96 -176.0 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.758 0.313 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.34 151.27 45.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.546 0.689 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.38 8.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.339 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -109.99 0.32 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -177.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' MET . 50.1 t30 -125.06 150.58 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ASN . 37.0 tpp -37.04 -40.37 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -61.46 -54.91 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.5 t0 -57.06 -67.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ASP . 11.1 mt -34.45 -55.68 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -45.74 -62.15 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -43.83 -44.3 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -65.37 -57.21 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.588 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 25.7 t80 -50.56 -52.49 38.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -50.08 -60.0 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.955 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -55.34 -20.07 10.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 68' ' ' ILE . 94.6 mt -96.78 16.57 18.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.588 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 10.1 mm -109.44 -24.59 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -94.33 -26.23 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.71 -35.69 75.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -115.38 32.32 6.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.9 t-80 -85.28 140.16 36.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.572 0.701 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.77 -45.1 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -66.81 -45.02 79.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 34.3 mmtt -55.52 -16.18 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -57.47 166.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -152.96 176.26 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.0 -4.18 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.82 -30.95 61.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.55 139.51 22.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.65 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 -32.7 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.67 -52.36 52.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -51.8 -50.6 60.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -40.56 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -45.23 -46.7 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -64.09 -36.04 82.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.0 t -58.76 -45.78 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.4 tpt -57.75 -58.94 6.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -42.3 -41.02 2.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -72.66 -64.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -40.26 -42.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG22 ' OE1' ' A' ' 70' ' ' GLN . 93.3 mt -57.35 -53.39 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.728 ' HB3' HD13 ' A' ' 21' ' ' ILE . 24.5 mt-10 -57.99 -49.22 77.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 40' ' ' LEU . 17.9 mt -57.08 -44.64 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -63.01 -12.55 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' OE1' HG22 ' A' ' 66' ' ' ILE . 39.8 mt-30 -97.98 -44.9 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -47.68 -28.39 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -82.02 -27.49 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' HA ' ' CE ' ' A' ' 73' ' ' LYS . 3.7 mmpt? -56.03 -27.41 53.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 74' ' ' ILE . 2.8 mp -110.57 -30.86 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.6 mt -98.76 27.36 4.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.82 -45.41 0.51 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -87.17 130.3 34.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.758 0.313 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -49.0 -23.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -79.99 -70.36 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.0 p -48.8 -35.06 13.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -68.54 -34.15 75.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -73.12 -34.41 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.5 mtmp? -71.13 -57.5 4.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.403 ' HB2' ' CG2' ' A' ' 74' ' ' ILE . 39.7 t80 -45.74 -52.96 10.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -48.69 -44.27 37.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 83' ' ' LYS . 14.7 mt -64.76 -51.09 64.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.13 -41.09 68.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -41.11 128.08 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.6 m -89.97 45.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 105.14 -158.18 16.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.31 59.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -69.12 160.64 30.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 37.8 t -77.72 163.23 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -155.23 108.65 2.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -120.78 119.87 33.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.82 -103.01 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -47.44 165.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.842 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -75.67 -49.62 17.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.03 62.43 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 tpt -43.18 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.11 154.72 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.59 -53.06 59.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 2.4 pm0 -166.66 156.8 11.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -156.02 -179.7 8.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HB ' HD11 ' A' ' 74' ' ' ILE . 43.9 p -113.14 -42.76 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD23 ' HD1' ' A' ' 84' ' ' TYR . 10.3 mt -86.25 171.3 11.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.1 36.36 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' ' CH2' ' A' ' 18' ' ' TRP . 19.3 tttp -147.63 120.22 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -59.87 109.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CH2' ' HD3' ' A' ' 16' ' ' LYS . 70.5 m95 -98.61 -37.09 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.471 ' CE2' ' HA ' ' A' ' 26' ' ' PRO . 27.2 m-85 -61.86 -13.38 23.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.8 m -98.8 -41.96 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.48 HD12 ' CE3' ' A' ' 18' ' ' TRP . 61.3 mt -59.61 -34.01 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HG23 ' A' ' 68' ' ' ILE . 56.4 mt -93.93 -17.01 23.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 44.66 12.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -125.52 171.53 10.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.81 150.77 41.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.471 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.6 Cg_endo -69.73 -1.14 7.95 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.751 2.301 . . . . 0.0 112.335 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -126.04 35.31 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -101.71 171.79 7.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -111.4 177.86 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.4 -57.93 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m -44.63 -37.74 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -78.53 -74.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 24' ' ' ALA . 29.5 mt -35.73 -45.73 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.537 ' HG3' ' CH2' ' A' ' 72' ' ' TRP . 3.0 ttpm? -57.2 -57.07 14.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -41.18 -45.97 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -39.13 75.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.79 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 49.2 t80 -60.97 -54.92 39.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.16 -58.88 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -56.84 -16.98 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 68' ' ' ILE . 87.2 mt -107.11 21.02 18.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.79 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.6 mm -111.75 -21.31 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -103.33 -12.39 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.46 HD12 HD23 ' A' ' 40' ' ' LEU . 30.3 mt -78.39 -23.83 46.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 50.9 m-85 -125.0 19.94 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 t-80 -81.06 140.74 49.85 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.3 Cg_endo -69.76 -39.74 6.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.06 -33.94 59.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 8.4 mmtp -80.16 44.32 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' OE1' HG21 ' A' ' 53' ' ' VAL . 78.8 mm-40 -112.02 176.82 4.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.2 m -168.27 148.14 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . . . -33.91 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.08 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.9 m-20 -38.01 -63.04 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG21 ' OE1' ' A' ' 49' ' ' GLN . 32.2 m -68.43 133.38 91.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.648 0.737 . . . . 0.0 111.174 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.33 -37.75 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.74 -40.07 98.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 95.3 m -59.56 -42.11 91.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 111.115 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 tpt -52.76 -43.01 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -52.52 -59.46 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.7 m -48.74 -37.72 19.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.582 ' HG3' HD11 ' A' ' 66' ' ' ILE . 3.2 tpt -59.98 -71.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 62' ' ' MET . 57.0 mm-40 -35.54 -40.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 44' ' ' TYR . 44.8 mmtm -66.72 -58.29 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -45.68 -58.79 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.582 HD11 ' HG3' ' A' ' 62' ' ' MET . 3.7 mp -45.57 -54.4 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -54.8 -51.89 64.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.538 ' CD1' ' CD2' ' A' ' 44' ' ' TYR . 17.9 mt -55.49 -60.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -46.27 -26.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' LYS . 79.6 mt-30 -82.83 -52.25 6.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.554 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -41.29 -35.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 43.0 t-105 -71.52 -37.59 71.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' GLN . 44.5 mtmt -50.9 -36.07 36.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -95.83 -48.3 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 71.1 mt -88.13 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -107.35 -42.71 1.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -102.18 155.93 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.02 -46.2 88.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.48 -58.31 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.3 p -58.4 -55.48 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.48 -44.13 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' O ' HD23 ' A' ' 86' ' ' LEU . 19.8 tttp -64.08 -54.95 26.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -54.55 -53.13 58.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.526 ' CE2' ' HD3' ' A' ' 88' ' ' ARG . 50.3 t80 -45.13 -61.65 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' TYR . 1.9 t70 -36.08 -46.95 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 82' ' ' LYS . 4.0 mm? -70.85 -45.39 64.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -54.76 -45.06 74.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 10.4 mtm105 -40.16 -57.45 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.4 p -96.96 91.76 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.13 163.41 5.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.21 3.72 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 t 72.5 43.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.2 t -65.09 -53.05 51.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 m 49.3 46.89 22.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -118.21 130.49 56.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.97 -97.28 2.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -81.61 127.99 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -140.87 124.29 16.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.806 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.32 141.83 3.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -22.19 64.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.77 0.319 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.43 149.5 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.0 mp -90.18 74.29 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 39.64 28.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 10' ' ' LEU . 25.9 tp60 -75.5 61.45 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.2 p -135.07 168.45 19.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt 61.75 45.1 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -131.68 -47.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 13.7 ttmt -64.65 153.3 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -81.15 88.73 5.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.545 ' CE3' ' HA ' ' A' ' 71' ' ' ALA . 37.5 m95 -73.29 -42.99 61.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.644 ' CE1' HD22 ' A' ' 75' ' ' LEU . 22.4 m-85 -56.42 -14.1 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -98.01 -40.07 8.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 HG21 ' HB3' ' A' ' 67' ' ' GLU . 40.5 mt -65.01 -35.32 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 31.4 mt -95.74 18.84 12.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.31 41.46 2.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -117.01 -178.96 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 111.064 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -106.02 153.22 40.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.8 -22.04 32.47 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.5 p -101.42 18.79 19.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.4 176.59 9.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -113.28 178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.08 -46.74 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.62 -59.47 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -47.73 -62.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 75' ' ' LEU . 64.0 mt -46.55 -50.1 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -50.74 -56.62 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -43.1 -49.08 6.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -35.2 79.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.78 ' CE1' HD11 ' A' ' 41' ' ' ILE . 48.4 t80 -67.54 -59.99 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -50.69 -40.56 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.824 ' HE2' HD11 ' A' ' 43' ' ' LEU . 12.8 tptm -70.01 -19.87 63.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.745 ' O ' HD13 ' A' ' 68' ' ' ILE . 89.3 mt -104.72 9.02 35.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' CE1' ' A' ' 37' ' ' TYR . 11.4 mm -102.27 -20.38 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.79 -6.38 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.824 HD11 ' HE2' ' A' ' 39' ' ' LYS . 23.7 mt -84.37 -23.52 30.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.488 ' CE2' ' HG3' ' A' ' 64' ' ' LYS . 50.7 m-85 -124.23 11.61 8.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 13.1 t-80 -68.96 140.1 91.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.643 0.735 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 53.9 Cg_endo -69.74 -43.31 2.75 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.633 2.222 . . . . 0.0 112.389 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.76 -48.41 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.68 -27.48 40.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' OE1' HG21 ' A' ' 53' ' ' VAL . 72.6 mm-40 -38.72 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ASP . 2.7 m -153.66 149.34 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.91 -26.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' SER . 18.7 t0 -52.06 -61.33 2.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG21 ' OE1' ' A' ' 49' ' ' GLN . 4.4 m -63.04 137.79 97.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.01 -38.44 13.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.58 -40.8 99.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 77.6 m -60.41 -37.08 79.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 111.182 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -49.54 -49.89 44.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -54.53 -48.57 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 m -44.96 -50.04 10.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.5 tpt -51.6 -58.29 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -40.17 -56.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 3.9 mmpt? -59.7 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.683 ' HA ' HD12 ' A' ' 68' ' ' ILE . 67.9 t80 -37.81 -48.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.97 -62.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' HB3' HG21 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -50.21 -47.7 54.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.745 HD13 ' O ' ' A' ' 40' ' ' LEU . 16.5 mt -54.67 -54.97 17.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -52.59 -23.9 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -85.29 -49.21 8.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.545 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.19 -38.4 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 24.5 t-105 -64.72 -44.99 88.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -44.25 -35.87 2.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.3 mp -96.16 -56.68 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.644 HD22 ' CE1' ' A' ' 19' ' ' TYR . 46.2 mt -85.87 34.69 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -110.88 -43.51 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.5 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -104.67 156.81 17.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -65.07 -42.63 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.85 -47.28 85.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.1 p -69.42 -56.78 6.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -35.06 47.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -68.29 -51.75 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.8 mttm -58.28 -46.68 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -45.36 -58.75 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -40.25 -48.6 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.88 -45.45 85.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -57.51 -48.38 79.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' SER . 4.0 ptm85 -68.52 -179.27 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' ARG . 60.6 p 34.5 45.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.33 146.18 8.48 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 89.94 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 t -76.79 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t 52.03 25.94 3.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 m -64.85 150.13 48.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 p -107.13 172.13 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.9 67.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -90.98 98.78 11.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -145.63 127.67 15.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.53 67.55 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -67.85 121.25 15.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.16 172.59 11.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -34.0 64.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -59.11 -22.84 61.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -84.53 86.47 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.8 p -118.06 -31.97 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -91.6 -58.23 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -46.63 -39.53 11.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -69.48 122.75 19.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.5 141.45 50.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.579 ' CE3' HD12 ' A' ' 21' ' ' ILE . 36.7 m95 -115.17 -43.5 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.525 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 40.5 m-85 -57.03 -13.18 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -97.76 -36.77 10.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.579 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.8 mt -66.44 -34.51 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 46.6 mt -93.66 2.06 56.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.04 41.17 97.87 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' HD23 ' A' ' 33' ' ' LEU . . . -122.84 -178.39 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -112.69 155.11 44.42 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.623 0.725 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.9 Cg_endo -69.77 -16.48 37.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.646 2.231 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.4 p -99.54 4.64 46.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.34 162.12 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.057 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -99.1 165.33 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 mmt -47.71 -63.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.4 m -39.82 -63.07 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 35' ' ' GLN . 8.8 m-20 -47.18 -72.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD23 ' CB ' ' A' ' 24' ' ' ALA . 15.1 mt -38.61 -47.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -54.34 -43.9 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' ASP . 76.8 mt-30 -58.48 -45.86 87.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.56 -40.39 95.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.613 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 14.0 t80 -61.77 -51.03 69.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -52.63 -57.3 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.39 -19.27 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.788 ' O ' HD13 ' A' ' 68' ' ' ILE . 98.8 mt -102.19 23.21 11.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mm -114.37 -37.61 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -76.12 -35.75 59.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.09 -46.7 85.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' CD2' ' CB ' ' A' ' 64' ' ' LYS . 31.3 m-85 -105.73 40.66 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 11.5 t-80 -97.3 140.2 21.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.0 Cg_endo -69.79 -45.71 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.86 -46.96 73.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 23.0 mmtm -54.37 -20.5 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 57.5 mm-40 -48.25 172.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 t -163.75 170.83 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.4 -15.89 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.83 -49.3 73.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 m -75.38 135.38 72.58 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.33 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.66 -34.56 30.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.97 -53.64 44.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.5 m -52.07 -42.31 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.8 tpt -45.49 -49.81 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.68 -47.21 70.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.28 -40.55 96.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 40.6 t -52.16 -48.76 64.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 tpt -52.88 -55.62 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.92 -54.18 10.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' CB ' ' CD2' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -57.2 -63.2 1.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -40.93 -63.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.8 mt -39.43 -48.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 21' ' ' ILE . 9.5 mm-40 -63.17 -50.99 68.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.788 HD13 ' O ' ' A' ' 40' ' ' LEU . 26.5 mt -55.81 -56.71 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' C ' ' OE1' ' A' ' 70' ' ' GLN . 17.9 t0 -52.57 -16.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.14 -52.39 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 18' ' ' TRP . . . -43.18 -37.33 2.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.593 ' CZ3' ' O ' ' A' ' 75' ' ' LEU . 38.5 t-105 -70.79 -32.71 69.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' GLN . 70.0 mmtt -52.07 -40.45 61.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.5 mp -97.71 -23.93 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' O ' ' CZ3' ' A' ' 72' ' ' TRP . 18.9 mt -108.3 28.68 8.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -122.67 -34.69 0.78 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -100.13 130.56 46.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.85 -31.19 48.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.38 -44.81 78.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 81' ' ' LYS . 20.4 p -76.62 -63.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' N ' ' OG1' ' A' ' 80' ' ' THR . 31.5 tttt -36.38 -43.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -62.62 -56.26 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -55.91 -47.17 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.592 ' CD1' ' OE1' ' A' ' 87' ' ' GLN . 51.8 t80 -60.77 -38.48 85.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.51 -17.97 60.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.3 mt -91.42 -58.17 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.592 ' OE1' ' CD1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -47.98 -42.85 28.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 2.3 ptm85 -56.93 -177.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.9 m -125.13 -59.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 100.48 -162.39 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.01 11.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.248 . . . . 0.0 112.366 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.8 m -68.57 74.82 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.2 t -167.32 106.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -134.07 175.38 9.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.843 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -83.28 163.57 20.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.77 -166.55 17.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -74.47 161.26 29.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -151.39 138.85 19.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.03 -145.7 15.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.83 145.6 29.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.17 106.11 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -39.25 -40.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' OE1' HD12 ' A' ' 10' ' ' LEU . 8.7 mp0 -133.21 129.35 37.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.06 -49.92 2.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.6 p -38.74 -44.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' LYS . 40.9 mt -81.53 -47.17 13.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' LEU . 8.5 ttmm -36.39 -58.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -58.91 140.42 55.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -94.87 99.28 11.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.528 ' CE3' HD12 ' A' ' 21' ' ' ILE . 44.3 m95 -71.55 -35.31 70.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 26' ' ' PRO . 30.9 m-85 -64.28 -13.35 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -98.54 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.528 HD12 ' CE3' ' A' ' 18' ' ' TRP . 51.7 mt -60.89 -36.2 70.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 75' ' ' LEU . 16.0 mt -98.81 16.14 23.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 43.16 42.56 5.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -116.33 170.29 8.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -98.65 149.31 35.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 19' ' ' TYR . 53.2 Cg_endo -69.78 -2.23 9.83 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -120.45 10.91 11.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.14 -175.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' MET . 17.5 m-80 -120.69 154.87 34.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' ASN . 2.4 tpt -35.35 -51.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 t -49.44 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' ' 35' ' ' GLN . 4.9 m-20 -40.06 -62.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -45.35 -39.82 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -66.31 -61.73 1.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.474 ' CG ' ' HA ' ' A' ' 32' ' ' ASP . 10.1 pt20 -48.86 -49.19 40.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -57.19 -42.95 82.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.743 ' CZ ' HD11 ' A' ' 41' ' ' ILE . 18.6 t80 -61.28 -60.22 4.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -46.52 -59.23 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -55.14 -22.53 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' O ' HD13 ' A' ' 68' ' ' ILE . 80.8 mt -100.62 23.55 10.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.743 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 4.8 mm -113.66 -38.18 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -74.36 -34.51 63.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.7 mt -59.9 -43.7 94.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -105.0 35.16 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 17.2 t-80 -95.67 139.7 22.01 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 54.2 Cg_endo -69.73 -38.52 7.75 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -75.44 -28.34 59.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 45' ' ' HIS . 24.6 mmtt -87.99 37.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -100.66 176.34 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 53' ' ' VAL . 79.3 p -168.08 143.1 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.13 -24.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -53.04 -44.17 67.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 50' ' ' SER . 5.4 m -74.15 138.35 75.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -167.45 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.745 2.296 . . . . 0.0 112.333 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.14 -41.18 20.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.043 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.09 -47.52 90.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.6 m -46.62 -39.7 11.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 111.146 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -45.68 93.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -61.56 -25.33 67.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.05 -29.54 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.0 m -66.84 -29.25 69.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.3 tpt -72.34 -55.35 7.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -54.07 -38.92 65.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -72.74 -60.52 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -42.73 -52.64 4.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.2 mt -52.0 -56.06 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -54.71 -49.41 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 40' ' ' LEU . 22.3 mt -53.89 -52.06 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.8 -18.38 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.477 ' OE1' ' N ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -93.6 -53.57 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.512 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . . . -45.35 -25.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.572 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 60.2 t-105 -85.05 -31.59 23.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' C ' HD12 ' A' ' 74' ' ' ILE . 39.5 mtmt -59.26 -24.55 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 74' ' ' ILE . 1.9 mp -106.38 -38.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.506 HD12 HD12 ' A' ' 22' ' ' LEU . 96.7 mt -95.23 16.4 16.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' TRP . . . -106.21 -31.07 4.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 81' ' ' LYS . 23.6 t-20 -88.86 158.43 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.794 0.33 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -76.42 -36.74 57.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.81 -64.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.469 ' HA ' ' HZ1' ' A' ' 83' ' ' LYS . 24.0 p -51.25 -57.03 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' ASN . 7.8 tmtt? -47.2 -33.13 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -80.09 -26.75 39.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HZ1' ' HA ' ' A' ' 80' ' ' THR . 7.8 mtmp? -78.99 -53.61 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -48.13 -50.96 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -50.7 -44.64 58.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 83' ' ' LYS . 12.6 mt -67.74 -54.47 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.1 mm100 -46.89 -46.55 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 13.3 mtp-105 -36.2 150.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.2 p -77.98 160.13 28.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.34 158.12 9.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.55 30.86 Favored 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -149.19 167.14 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -69.96 -54.87 11.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 stop_ save_