data_1v5n_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 1v5n _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 ' 19' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 59' ' ' ILE . 16.5 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.84 -43.11 13.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.17 -31.26 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.69 -33.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.588 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -107.52 35.86 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.42 -41.14 93.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.72 -30.11 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.9 m0 -49.76 126.04 17.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' CD ' HD23 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.79 156.53 63.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -76.82 -35.03 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -123.8 120.16 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG12 ' CG ' ' A' ' 62' ' ' TYR . 14.5 p -109.66 149.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -108.56 84.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CD2' HD11 ' A' ' 71' ' ' LEU . 17.7 t-80 -68.39 166.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -86.85 -46.71 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.96 -28.89 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 6.0 t60 -117.58 24.57 11.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.8 pt-20 -37.59 -39.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.9 mp0 -34.07 -49.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -138.92 161.61 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -94.41 115.6 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.0 mm? -53.74 165.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' LEU . 10.8 tt0 -127.91 103.88 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -36.64 102.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.6 m -111.71 135.5 52.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' NE ' HG23 ' A' ' 59' ' ' ILE . 10.6 mmm-85 -64.79 123.25 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.49 134.33 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -64.53 -52.03 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.4 t -152.91 144.78 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 14.1 p90 -158.03 -175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -126.11 107.46 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 41.8 t -61.62 127.35 31.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.57 33.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 36.1 tttm -127.7 -59.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 32.0 p -103.53 -0.14 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 65.57 49.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.6 mm-40 -126.69 -173.33 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -131.45 120.35 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.0 177.96 41.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 p -153.04 142.51 21.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.682 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 26.7 mm 48.76 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.682 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.4 m95 -177.89 129.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.611 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.9 t -170.88 122.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 76' ' ' ALA . 25.5 m-85 -72.51 98.98 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 81.4 t60 -103.83 149.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 13.9 t -117.52 121.66 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.45 33.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -134.79 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -127.15 -16.54 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.2 m-20 74.98 46.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 7.3 t80 -96.09 121.94 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.35 142.52 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 32' ' ' HIS . 38.8 mt -147.88 178.31 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 6.8 m80 -93.84 151.62 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.615 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.23 -44.22 83.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.94 -45.52 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.458 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 57.3 m -52.35 -47.26 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . . . -65.05 -46.74 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' CD ' ' A' ' 27' ' ' PRO . 15.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.557 ' CD2' HG23 ' A' ' 59' ' ' ILE . 22.4 m-85 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.6 -44.49 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 24' ' ' LYS . 11.4 tm-20 -52.83 -35.33 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -73.36 -32.97 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -107.82 35.32 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 18.3 mmtt -66.83 -41.16 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.39 -29.74 16.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -51.5 126.69 30.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.538 0.685 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.47 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.76 161.32 46.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -80.52 -36.43 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -120.49 133.43 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 76' ' ' ALA . 7.3 p -125.97 143.03 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' CA ' ' HG2' ' A' ' 39' ' ' GLU . 17.0 tptm -106.47 86.33 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.495 ' CG ' HD13 ' A' ' 71' ' ' LEU . 5.8 t-80 -74.3 158.91 33.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.31 -44.61 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.88 -27.31 69.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -124.61 29.47 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -43.32 -37.11 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' GLU . 40.6 mm-40 -34.1 -50.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -137.2 164.84 27.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HG2' ' CA ' ' A' ' 31' ' ' LYS . 29.9 mt-10 -97.42 112.99 24.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 2.1 mm? -51.8 171.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' LEU . 13.9 tt0 -135.53 100.79 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.586 HD21 ' CZ3' ' A' ' 60' ' ' TRP . 16.2 tp -34.4 100.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -110.62 139.92 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' NE ' HG22 ' A' ' 59' ' ' ILE . 10.9 mmm-85 -65.85 121.68 15.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' ILE . 46.9 t -140.42 135.75 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.63 -49.93 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 t -151.01 147.36 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 21.2 p90 -162.86 -175.06 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 m -128.43 105.33 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.8 t -62.93 136.01 57.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -100.81 33.54 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 52.1 tttt -127.02 -57.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.1 p -104.35 -3.02 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 65.0 mt-10 67.43 45.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 65.7 mm-40 -126.16 170.81 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -115.27 120.39 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.93 176.82 38.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.446 HG22 ' C ' ' A' ' 57' ' ' GLY . 80.5 p -152.5 141.5 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.712 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 4.3 mp 54.3 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.712 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.74 132.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.6 t -177.71 119.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 31.5 m-85 -68.29 100.07 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t60 -104.65 152.81 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.7 t -123.83 119.94 31.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.17 37.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 64' ' ' CYS . 8.7 tt0 -135.05 -36.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 2.0 m -128.42 -6.14 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.512 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.7 m-20 67.12 54.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.2 t80 -95.44 172.86 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -159.82 131.79 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 32' ' ' HIS . 57.2 mt -142.95 177.96 8.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.475 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 12.0 m80 -94.1 154.95 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.1 -42.2 94.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -77.09 -44.8 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 44.5 m -52.35 -47.65 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -67.72 -53.42 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD21 ' CD ' ' A' ' 27' ' ' PRO . 5.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.86 -38.17 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HA ' ' CD ' ' A' ' 24' ' ' LYS . 34.5 tt0 -65.78 -35.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.14 -32.86 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -107.93 32.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 10.8 mtpp -60.64 -43.38 97.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.71 -29.52 18.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -51.13 124.44 22.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.563 0.697 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.71 57.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.41 -38.05 73.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' CG ' ' A' ' 41' ' ' GLU . 13.7 mttt -129.99 139.66 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG13 ' CD1' ' A' ' 62' ' ' TYR . 11.7 p -118.82 155.0 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -108.04 76.42 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 34' ' ' LEU . 25.4 t-80 -62.09 157.71 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -81.24 -47.22 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 29.4 mt -62.71 -24.09 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.1 t60 -120.32 25.64 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.0 pt-20 -37.76 -32.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -38.97 -52.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' ND1' ' OE1' ' A' ' 66' ' ' GLU . 1.1 m80 -141.6 160.44 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.9 110.97 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.1 mm? -50.73 158.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.482 ' CG ' ' HE3' ' A' ' 29' ' ' LYS . 14.7 tt0 -116.78 113.91 23.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 18.6 tp -48.24 99.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.5 m -107.31 137.68 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 3.6 mmm180 -69.91 110.21 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 46' ' ' GLN . 90.4 t -127.63 136.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.4 tt0 -69.78 -47.43 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 t -152.08 145.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.1 p90 -161.45 -175.06 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 m -128.33 108.19 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.98 130.12 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -95.97 32.44 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 26.0 tttm -124.06 -49.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.8 p -116.5 1.78 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 63.18 48.2 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -128.72 165.95 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -111.87 119.53 38.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -89.08 -177.96 46.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 p -157.42 144.11 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 111.131 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 36.2 mm 50.65 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.86 134.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.618 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.0 t -177.15 116.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 76' ' ' ALA . 41.1 m-85 -65.3 99.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 77.8 t60 -103.16 146.45 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.461 ' C ' ' H ' ' A' ' 66' ' ' GLU . 10.0 t -118.74 116.66 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.81 35.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 16.6 tt0 -135.06 -35.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.55 -5.1 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 23.6 t70 64.39 48.27 2.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.9 t80 -97.94 126.0 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.04 144.88 39.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 HD11 ' CG ' ' A' ' 32' ' ' HIS . 57.4 mt -150.99 177.35 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 9.4 m80 -93.89 156.38 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.24 -41.06 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 18.5 ptpt -78.41 -42.45 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.478 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 51.0 m -55.29 -49.85 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.573 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -65.53 -43.83 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.554 ' CD1' HG22 ' A' ' 59' ' ' ILE . 22.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.927 0.394 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -46.43 -39.94 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.8 mt -77.94 -33.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -108.16 35.55 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -62.56 -46.52 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.8 -28.97 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.693 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 22.0 m0 -46.72 127.79 8.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' CD ' HD23 ' A' ' 77' ' ' LEU . 54.0 Cg_endo -69.76 167.61 23.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.272 . . . . 0.0 112.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -90.76 -34.58 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -125.92 127.01 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 62' ' ' TYR . 13.1 p -125.57 142.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -100.06 96.53 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 9.3 t-80 -78.26 147.34 34.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.31 -49.91 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.48 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.0 t60 -119.33 23.78 11.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' HIS . 8.8 pt-20 -34.99 -36.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' HIS . 32.4 mm-40 -40.63 -52.64 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -136.85 168.15 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -102.13 117.38 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 2.2 mm? -52.55 171.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.3 tt0 -133.31 106.54 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 17.1 tp -35.42 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.0 m -106.88 139.63 40.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' NE ' HG21 ' A' ' 59' ' ' ILE . 15.8 mmm-85 -72.49 129.95 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.4 t -149.59 136.84 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 45' ' ' VAL . 36.0 tt0 -66.8 -51.68 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.6 t -151.6 147.88 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.6 p90 -162.58 -175.18 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -127.51 104.77 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.2 t -58.92 141.21 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.09 30.56 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -125.91 -53.67 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.0 p -106.77 -4.96 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 3.2 mp0 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 11.5 mm-40 -127.54 -174.02 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.64 119.45 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.584 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -88.32 179.91 46.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.42 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -157.22 140.5 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.701 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.3 mm 51.73 25.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.701 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.6 m95 -178.5 136.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.661 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.8 p -177.26 119.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 27.8 m-85 -74.02 98.99 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 3.5 t60 -108.66 155.07 21.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.508 ' C ' ' H ' ' A' ' 66' ' ' GLU . 20.0 t -118.37 120.77 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 23.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -128.5 -30.51 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASP . 3.5 m -133.05 22.36 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.5 m-20 35.43 54.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.3 t80 -93.9 171.88 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -161.06 132.86 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 69.9 mt -147.09 178.44 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.584 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 8.5 m80 -91.46 147.12 23.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.693 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -55.75 -38.6 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 32.7 m -53.73 -48.68 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . . . -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD23 ' CD ' ' A' ' 27' ' ' PRO . 16.4 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.554 ' CD1' HG22 ' A' ' 59' ' ' ILE . 19.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -49.71 -36.51 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.0 tt0 -61.98 -27.25 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.97 -31.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.606 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -108.78 34.27 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 29.9 mtmt -61.72 -42.89 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -89.61 -30.22 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.658 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -50.17 122.91 15.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 158.25 57.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.63 -35.32 45.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -123.29 118.69 28.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 31' ' ' LYS . 10.5 p -118.2 143.52 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' HG23 ' A' ' 30' ' ' VAL . 11.0 tttp -101.48 89.09 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CD2' HD11 ' A' ' 71' ' ' LEU . 32.1 t-80 -68.61 162.36 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -79.75 -48.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' HG13 ' A' ' 33' ' ' VAL . 22.2 mt -63.19 -24.62 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' NE2' ' SG ' ' A' ' 67' ' ' CYS . 9.0 t60 -121.19 24.51 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -36.07 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.0 mp0 -33.68 -52.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -138.79 170.9 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HG2' ' CB ' ' A' ' 31' ' ' LYS . 22.0 mt-10 -99.99 117.13 33.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.8 mm? -55.19 166.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 24.3 tt0 -128.42 99.89 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.587 HD21 ' CZ3' ' A' ' 60' ' ' TRP . 14.9 tp -35.2 98.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 m -109.46 139.2 44.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -68.05 126.79 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.84 135.08 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.84 -51.65 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 t -152.5 148.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 19.9 p90 -160.28 179.02 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -125.0 110.77 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 36.1 t -68.7 134.61 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' OD1' ' CE1' ' A' ' 69' ' ' PHE . 6.1 p-10 -96.66 22.91 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 70.2 tttt -116.43 -64.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 25.8 p -96.85 -0.71 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.88 39.42 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 70.5 mm-40 -121.43 166.52 13.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 48' ' ' TYR . 8.9 tt0 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.17 -176.22 42.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 33.2 p -160.16 142.8 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.165 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.71 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 31.8 mm 52.76 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.23 130.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.611 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -172.4 111.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 31.4 m-85 -64.14 99.48 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 42.9 t60 -104.31 149.81 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.456 ' C ' ' H ' ' A' ' 66' ' ' GLU . 38.9 t -112.82 123.49 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.78 28.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 64' ' ' CYS . 26.0 tt0 -133.24 -50.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -111.54 -15.71 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.489 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 6.3 m-20 70.96 47.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 11.2 t80 -95.59 121.81 37.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -104.01 148.21 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -154.62 178.77 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.509 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 11.7 m80 -92.97 152.52 19.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.658 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.48 -44.4 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -75.18 -37.44 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.8 m -59.48 -47.55 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -63.02 -44.28 96.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -48.61 -37.32 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.06 -29.26 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.19 -32.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB1' ' CZ2' ' A' ' 60' ' ' TRP . . . -108.13 34.78 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -66.46 -40.91 89.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.5 -29.07 16.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.4 m0 -48.08 125.23 11.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.67 69.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.03 -32.65 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -124.37 122.43 37.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 62' ' ' TYR . 7.6 p -117.94 140.47 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 30' ' ' VAL . 2.0 tppp? -103.09 84.59 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.59 ' CD2' HD12 ' A' ' 71' ' ' LEU . 36.1 t-80 -69.29 155.5 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -71.88 -49.6 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.2 mt -61.4 -25.8 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 5.9 t60 -120.66 23.35 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLU . 12.4 pt-20 -38.21 -39.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' GLU . 6.4 mp0 -34.67 -46.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 3.7 m80 -142.45 163.55 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -95.17 117.5 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.1 mm? -55.59 168.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.7 tt0 -131.74 102.5 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -33.33 101.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.4 m -109.05 138.77 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.2 mmm180 -74.55 123.12 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.9 t -142.58 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.08 -50.7 67.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 t -153.1 147.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.666 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.7 p90 -162.55 -175.13 4.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.3 m -127.49 109.74 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 44.2 t -63.43 149.35 46.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.2 23.98 13.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -122.07 -54.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.7 p -103.49 -2.57 26.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 64.81 31.16 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -110.89 -174.81 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -125.06 126.19 44.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.609 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -92.79 -179.31 40.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -157.57 141.93 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.288 . . . . 0.0 111.178 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.718 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 28.4 mm 50.94 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.718 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.8 m95 -178.46 136.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.666 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.6 p -175.73 118.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.579 ' CD1' HG11 ' A' ' 30' ' ' VAL . 26.7 m-85 -70.63 98.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 57.7 t60 -103.32 149.29 24.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' GLU . 12.8 t -115.24 118.77 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.29 33.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 64' ' ' CYS . 10.4 tt0 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.28 -16.54 6.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.559 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 9.1 t0 74.99 47.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.509 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.3 t80 -97.93 122.26 40.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.51 146.47 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.59 HD12 ' CD2' ' A' ' 32' ' ' HIS . 34.6 mt -150.81 178.46 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.609 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 9.8 m80 -97.22 152.87 18.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.4 -45.75 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -74.18 -43.64 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 35.8 m -53.52 -48.6 68.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . . . -68.6 -40.35 80.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.542 ' CD2' HG21 ' A' ' 59' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.65 -37.48 5.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 29.6 tt0 -53.31 -35.82 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mt -75.44 -29.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -106.31 34.06 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.3 mttt -64.27 -41.31 96.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -91.7 -29.61 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 20.1 m0 -52.26 124.99 32.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.536 0.684 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.71 170.31 16.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.266 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -86.78 -36.91 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -121.88 120.37 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 62' ' ' TYR . 12.2 p -110.62 149.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -109.15 97.43 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CG ' HD13 ' A' ' 71' ' ' LEU . 11.5 t-80 -87.82 159.22 18.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -76.97 -45.51 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' N ' HG13 ' A' ' 33' ' ' VAL . 84.7 mt -62.82 -28.09 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' NE2' ' SG ' ' A' ' 67' ' ' CYS . 5.3 t60 -121.95 28.05 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.1 pt-20 -39.96 -38.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -32.95 -53.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -136.56 169.95 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.75 109.76 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.8 mm? -45.43 171.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 42' ' ' LEU . 16.3 tt0 -134.31 101.44 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.9 tp -33.28 97.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' GLU . 23.2 m -108.82 135.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' NE ' HG23 ' A' ' 59' ' ' ILE . 16.4 mmm-85 -63.62 133.53 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -151.26 132.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -64.26 -50.67 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.2 t -155.0 144.85 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.8 p90 -157.12 -175.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -126.88 106.5 9.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 33.1 t -60.69 122.56 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.35 27.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -121.51 -64.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.3 p -98.49 1.34 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 64.24 45.76 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 59.3 mm-40 -120.58 -173.17 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -132.77 117.78 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.85 -179.44 47.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.2 p -156.24 137.88 14.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.71 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 28.3 mm 54.0 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.5 m95 -178.63 133.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.639 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 15.0 t -176.95 113.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CD1' HG12 ' A' ' 30' ' ' VAL . 36.2 m-85 -64.27 99.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 47.4 t60 -106.55 149.28 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 65' ' ' ASP . 24.2 t -128.67 74.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -25.0 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 tp10 -39.91 -53.0 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.444 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -114.57 -2.86 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.581 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.1 m-20 62.17 55.05 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.0 t80 -95.59 174.64 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -162.31 128.92 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 32' ' ' HIS . 19.0 mt -141.31 178.16 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 4.8 m80 -92.71 150.48 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.605 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.88 -38.82 86.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -80.42 -35.91 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 56.2 m -63.56 -53.11 56.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -57.1 -45.61 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD21 ' CD ' ' A' ' 27' ' ' PRO . 26.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 59' ' ' ILE . 10.0 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' LYS . 77.6 m-20 -48.02 -44.96 31.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' NZ ' ' A' ' 24' ' ' LYS . 20.2 tt0 -59.75 -24.28 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.9 -30.52 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.593 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -119.54 28.38 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.2 ptpp? -70.82 -26.85 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -96.26 -30.65 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 7.4 m0 -58.74 130.33 85.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.563 0.697 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' HD23 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.74 144.88 55.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.07 77.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -125.29 119.17 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 62' ' ' TYR . 12.5 p -116.29 144.48 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 30' ' ' VAL . 20.4 tptt -100.19 77.14 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 35.1 t-80 -58.94 159.38 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -78.66 -49.23 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 67.4 mt -63.08 -17.16 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.5 t60 -131.96 28.19 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -41.45 -37.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLU . 24.0 mp0 -34.13 -49.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -138.39 169.4 17.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -100.53 114.15 27.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.1 mm? -51.08 171.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 11.1 tt0 -135.32 102.6 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -33.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -109.72 133.25 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -69.04 125.12 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 95.7 t -143.08 136.33 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -64.5 -50.44 67.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 t -154.6 145.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.1 p90 -159.55 -174.96 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 m -129.39 110.93 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 49.0 t -66.82 147.86 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -107.64 25.56 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -120.71 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 18.7 p -97.55 -3.49 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 66.09 39.98 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 13.0 mm-40 -119.71 178.57 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -119.79 122.73 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.516 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.22 171.22 33.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 p -149.04 145.35 27.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 111.121 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.73 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 37.7 mm 50.74 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.73 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.3 m95 -178.62 138.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.642 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 9.7 p -177.53 117.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CD1' HG11 ' A' ' 30' ' ' VAL . 35.0 m-85 -72.89 98.38 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 38.6 t60 -103.94 151.0 23.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.461 ' C ' ' H ' ' A' ' 66' ' ' GLU . 38.1 t -112.41 123.94 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.7 28.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 4.5 tp10 -134.92 -52.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -108.6 -17.24 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 71.21 50.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 18.9 t80 -100.72 122.75 43.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.24 150.98 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 21.5 mt -154.72 178.62 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.0 m80 -95.51 155.58 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -56.14 -45.18 79.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -75.15 -38.81 60.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.5 m -59.2 -45.05 92.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.532 ' HB1' ' CD2' ' A' ' 62' ' ' TYR . . . -68.01 -43.16 79.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD23 ' CD ' ' A' ' 27' ' ' PRO . 6.5 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.578 ' CD1' HG23 ' A' ' 59' ' ' ILE . 15.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.59 -38.7 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 8.3 tp10 -59.17 -30.84 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.59 -32.85 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -107.4 35.56 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 22.9 mttt -61.76 -44.67 96.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.23 -29.84 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.68 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.0 m0 -47.52 124.58 9.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.471 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.83 165.0 32.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -87.25 -35.65 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -118.95 129.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 31' ' ' LYS . 11.6 p -122.07 144.5 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -108.69 83.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 71' ' ' LEU . 3.0 t-80 -72.86 161.75 30.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.5 p -81.58 -41.32 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' N ' HG13 ' A' ' 33' ' ' VAL . 26.4 mt -63.87 -27.53 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' HD11 ' A' ' 40' ' ' LEU . 9.5 t60 -120.81 25.74 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 2.4 pp20? -35.14 -40.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' GLU . 31.2 mm-40 -31.61 -51.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -139.37 -179.46 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.22 116.59 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -59.49 165.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -128.18 125.81 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.6 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.8 tp -52.04 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -101.42 136.67 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.74 128.93 37.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 46' ' ' GLN . 94.3 t -149.01 139.13 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.474 ' N ' HG13 ' A' ' 45' ' ' VAL . 32.2 tt0 -69.68 -49.55 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 t -151.48 148.73 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 31.6 p90 -165.07 -175.16 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -128.34 106.67 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.1 t -60.86 151.22 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -109.91 27.75 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HZ1' ' CE1' ' A' ' 32' ' ' HIS . 29.6 tttp -126.46 -55.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.2 p -100.84 -4.68 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 66.07 30.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -111.14 -177.67 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 9.0 tt0 -122.48 121.19 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.685 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -86.6 -170.54 46.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.514 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 16.2 p -166.52 142.37 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.716 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.5 mm 49.83 25.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.716 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.03 137.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.658 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 31.4 p -178.07 120.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.588 ' CE2' ' HB1' ' A' ' 76' ' ' ALA . 36.7 m-85 -74.45 98.54 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 13.8 t60 -107.23 151.98 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' GLU . 4.4 t -117.75 118.55 32.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.89 35.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.0 tp10 -135.0 -36.43 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 3.2 m -125.59 -6.61 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.576 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 39.8 t0 66.69 54.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 1.9 t80 -95.49 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.58 125.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 32' ' ' HIS . 19.6 mt -135.6 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.685 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 12.3 m80 -95.67 148.72 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.68 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -52.22 -39.55 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -79.94 -42.05 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.3 m -54.71 -43.1 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.588 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -69.04 -43.36 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD22 ' CD ' ' A' ' 27' ' ' PRO . 17.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 17.0 m-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -44.81 -39.86 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.05 -36.78 70.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -72.7 -35.81 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -105.98 25.04 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.3 ptpt -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 24.9 t0 -86.06 -31.73 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -53.66 128.28 52.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.82 149.08 66.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.06 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 9.1 mmtp -124.96 121.97 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 76' ' ' ALA . 13.8 p -116.51 146.92 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -108.17 104.24 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.523 ' CG ' HD11 ' A' ' 71' ' ' LEU . 7.3 t-80 -89.59 157.42 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.99 -49.48 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.13 -28.08 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -119.33 25.42 10.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -38.66 -39.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -37.45 -48.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -140.87 164.33 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.42 131.08 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 1.9 mm? -66.56 168.69 8.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -132.26 115.19 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.562 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 12.8 tp -40.18 103.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.2 m -111.62 135.78 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' HG21 ' A' ' 59' ' ' ILE . 5.8 mmm180 -68.89 122.55 18.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 46' ' ' GLN . 11.5 t -143.1 145.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 45' ' ' VAL . 46.3 tt0 -77.15 -49.17 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 t -154.47 149.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 57' ' ' GLY . 36.3 p90 -161.29 -175.06 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -128.37 104.51 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.0 t -59.05 124.22 19.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -91.56 29.08 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -122.9 -54.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.4 p -107.06 -2.17 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 67.1 47.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 25.8 mm-40 -126.52 -173.61 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.11 117.95 19.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -86.03 178.89 49.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -159.95 137.36 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.794 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 42.0 mm 60.84 24.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.794 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.3 m95 175.53 139.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -173.77 120.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CZ ' HD12 ' A' ' 42' ' ' LEU . 23.0 m-85 -78.12 99.81 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.594 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -112.61 151.03 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.407 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 6.3 t -107.26 126.01 51.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -81.61 34.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -134.86 -36.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -122.07 -15.58 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 5.2 t70 75.01 54.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 2.4 t80 -94.94 171.92 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 m-20 -153.86 137.42 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 32' ' ' HIS . 76.8 mt -153.16 177.87 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.2 m80 -92.22 155.58 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.64 -38.74 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -80.56 -38.5 29.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -64.49 -41.47 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD21 ' CD ' ' A' ' 27' ' ' PRO . 13.3 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.537 ' CD2' HG23 ' A' ' 59' ' ' ILE . 13.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -46.25 -37.74 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.29 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.28 -34.89 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . . . -101.64 31.19 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.86 -30.68 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.569 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 14.3 m0 -56.13 125.06 62.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 150.49 68.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -70.04 -36.68 75.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -126.19 118.43 25.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.587 HG12 ' CD1' ' A' ' 62' ' ' TYR . 7.7 p -112.63 154.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -110.09 83.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.585 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 35.5 t-80 -62.83 154.61 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -75.38 -48.94 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 96.7 mt -62.86 -23.04 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 8.6 t60 -121.98 26.51 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -38.53 -37.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.7 mm-40 -35.46 -49.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -139.65 175.49 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -104.77 125.51 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -63.45 168.13 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LEU . 8.9 tt0 -132.46 103.21 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.592 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 14.2 tp -35.39 101.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 m -109.19 143.57 38.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.5 mmm180 -78.29 124.03 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 85.7 t -143.8 135.7 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.413 ' N ' HG11 ' A' ' 45' ' ' VAL . 20.4 tt0 -63.08 -52.0 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.4 t -153.56 146.36 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 16.8 p90 -158.78 -175.01 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -128.63 106.43 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.0 t -59.55 131.85 52.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -96.94 28.69 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -123.63 -57.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -104.14 -1.75 26.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 65.83 51.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 18.5 mm-40 -127.31 -173.35 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -132.09 115.56 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.531 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -87.1 179.28 48.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -155.07 145.65 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.685 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.1 mm 48.51 24.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.8 m95 -178.7 138.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.642 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.1 p -176.6 117.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' HG12 ' A' ' 30' ' ' VAL . 15.8 m-85 -70.16 99.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 41.7 t60 -104.66 151.06 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.487 ' C ' ' H ' ' A' ' 66' ' ' GLU . 4.8 t -119.42 122.44 41.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.17 30.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.6 tp10 -134.97 -36.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -135.01 19.87 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 7.4 p-10 35.57 52.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 7.6 t80 -97.95 115.44 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.27 143.24 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.585 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 46.9 mt -149.75 177.92 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.7 m80 -92.2 141.81 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.566 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -50.8 -39.14 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -79.19 -39.76 32.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 16.6 m -57.25 -49.31 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -68.37 -41.99 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CD1' HG22 ' A' ' 59' ' ' ILE . 18.4 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -48.58 -38.26 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 57.2 tt0 -57.26 -31.24 65.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.52 -30.49 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -108.82 34.04 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 24.1 mttm -60.06 -45.79 91.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.41 -29.52 19.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -48.56 123.97 11.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' CD2' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 165.12 32.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.04 -35.61 20.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 12.3 mmtm -123.25 118.8 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG21 ' N ' ' A' ' 31' ' ' LYS . 6.8 p -122.99 144.53 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' N ' HG21 ' A' ' 30' ' ' VAL . 27.7 ttpt -105.04 103.13 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.547 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 29.2 t-80 -79.85 159.34 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.26 -49.46 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.98 -23.45 67.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 7.6 t60 -123.54 22.94 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' HIS . 17.3 pt-20 -38.91 -33.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -39.12 -51.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -134.8 171.61 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.42 124.29 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.0 mm? -61.07 169.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.6 tt0 -132.96 95.68 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.575 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 14.7 tp -32.34 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.6 m -113.34 139.59 48.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.8 mmm180 -71.08 127.22 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 46' ' ' GLN . 16.6 t -143.47 143.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' N ' HG12 ' A' ' 45' ' ' VAL . 4.8 tp-100 -69.68 -49.2 55.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.0 t -156.34 145.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' ' OG ' ' A' ' 61' ' ' SER . 27.9 p90 -157.45 -174.98 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.3 m -129.96 114.62 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 38.5 t -73.19 129.53 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.8 25.18 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 46.8 tttm -118.58 -67.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 24.6 p -95.32 5.0 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 58.22 40.05 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -120.95 169.13 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -113.86 125.69 54.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.506 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -93.48 -177.71 39.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 18.2 p -160.84 140.48 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.697 0.284 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.735 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.3 mm 57.06 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.735 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 178.09 132.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -171.95 116.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.0 m-85 -72.88 99.43 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 8.2 t60 -105.46 152.25 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.436 ' HB2' HD13 ' A' ' 40' ' ' LEU . 27.3 t -110.23 128.55 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 17.9 t0 -81.51 30.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.94 -53.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.3 m -107.98 -18.57 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.502 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 10.8 t0 75.0 45.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 22.0 t80 -95.16 121.88 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.08 153.74 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' CD1' ' CG ' ' A' ' 32' ' ' HIS . 21.6 mt -158.57 178.85 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 14.7 m80 -94.86 155.49 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.593 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.58 -45.49 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.54 -36.6 65.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.401 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 55.3 m -63.33 -43.84 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.62 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.147 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' CD2' ' HD2' ' A' ' 27' ' ' PRO . 80.3 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' HG22 ' A' ' 59' ' ' ILE . 24.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' LYS . 30.9 m-20 -44.25 -43.52 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.77 -37.69 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.0 mt -71.63 -32.09 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -112.18 26.48 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASP . 13.7 ptpt -64.36 -34.51 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.51 -30.46 13.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.592 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 15.9 m0 -53.54 126.38 47.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.571 0.701 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.465 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 147.76 63.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -69.7 -36.32 75.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -123.87 119.68 30.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 62' ' ' TYR . 14.8 p -115.73 149.69 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -104.58 81.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CD2' HD11 ' A' ' 71' ' ' LEU . 29.3 t-80 -62.89 151.55 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.39 -49.07 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.4 mt -61.89 -26.52 68.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.9 t60 -119.28 27.41 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.3 pt-20 -37.82 -38.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 43.2 mp0 -34.96 -51.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.27 174.17 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.92 117.36 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.489 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.2 mm? -57.46 167.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' LEU . 38.4 tt0 -130.18 108.64 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 13.8 tp -37.33 103.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.5 m -111.43 142.74 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.4 mmm180 -76.76 125.5 29.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.94 137.94 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.21 -51.5 57.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 t -151.45 148.13 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.665 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 25.3 p90 -162.14 -175.06 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.8 m -127.47 108.92 11.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.04 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -107.08 31.73 5.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -126.51 -56.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -105.83 -4.1 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 42.5 mt-10 69.08 43.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.52 167.4 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.35 127.22 54.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -95.72 -178.17 36.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 57' ' ' GLY . 28.1 p -158.5 143.91 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 35.2 mm 50.92 24.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.1 m95 -179.28 137.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.665 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.5 p -177.7 116.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.489 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 31.2 m-85 -69.51 98.42 1.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 53.3 t60 -103.12 144.64 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.496 ' C ' ' H ' ' A' ' 66' ' ' GLU . 5.3 t -112.64 121.07 43.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.54 30.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' A' ' 64' ' ' CYS . 9.8 tt0 -134.97 -35.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.8 m -134.97 19.55 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 25.4 t0 36.86 49.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 10.1 t80 -96.49 118.55 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -103.28 149.24 24.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 32' ' ' HIS . 39.1 mt -153.17 178.59 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.483 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 5.4 m80 -94.22 156.99 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -62.07 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -76.85 -41.9 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 41.5 m -54.52 -49.08 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.59 81.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' CD ' ' A' ' 27' ' ' PRO . 7.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CD2' HG21 ' A' ' 59' ' ' ILE . 22.9 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -41.11 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 18.8 tt0 -56.59 -36.13 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.78 -33.37 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 60' ' ' TRP . . . -103.72 34.93 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 8.3 mtpp -63.44 -46.11 87.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.0 -29.78 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 73' ' ' ALA . 13.9 m0 -53.16 124.81 39.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.531 0.681 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.96 36.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -82.83 -35.69 26.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -126.08 118.2 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 13.9 p -116.21 143.5 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -102.26 87.36 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.583 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.9 t-80 -66.25 150.27 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -69.8 -49.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 33.2 mt -63.32 -18.67 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 8.5 t60 -130.7 25.14 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' HIS . 15.0 pt-20 -39.76 -36.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mp0 -33.52 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 8.1 m80 -141.77 164.95 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -99.07 114.35 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 3.0 mm? -52.06 171.69 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' LEU . 9.4 tt0 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.603 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.6 tp -26.84 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -109.48 140.21 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NE ' HG23 ' A' ' 59' ' ' ILE . 15.1 mmm-85 -73.55 128.47 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 69.9 t -147.65 141.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -71.04 -50.27 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.8 t -153.16 147.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 26.6 p90 -162.58 -175.04 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -127.44 108.75 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.1 t -63.43 123.52 18.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -87.36 32.27 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -126.41 -64.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -98.21 1.77 47.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 62.95 49.44 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.49 -173.09 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -131.58 119.48 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -90.57 179.21 43.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.4 p -155.52 142.83 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 21.7 mm 51.44 25.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.732 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 6.3 m95 -179.5 136.9 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.658 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.9 p -174.6 126.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 76' ' ' ALA . 24.7 m-85 -79.34 97.88 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 58.5 t60 -102.85 154.08 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.517 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 4.3 t -121.45 119.43 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 16.6 t0 -77.89 33.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 64' ' ' CYS . 19.1 tt0 -134.84 -37.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.72 -6.06 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 16.6 t70 63.82 54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 9.3 t80 -105.03 118.43 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 15.1 m-20 -102.37 145.45 29.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -149.55 178.48 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.3 m80 -93.04 150.62 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -57.74 -41.19 81.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -78.55 -40.57 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 28.4 m -55.92 -47.4 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -67.23 -41.53 85.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.54 ' CD2' HG21 ' A' ' 59' ' ' ILE . 21.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -48.47 -35.22 12.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 22.3 tp10 -58.32 -31.71 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.27 -31.52 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -102.2 30.13 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.6 mttm -62.07 -46.81 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.31 -26.69 24.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 73' ' ' ALA . 25.0 m0 -57.04 125.97 71.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.77 7.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -92.24 -36.1 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -122.16 128.49 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 62' ' ' TYR . 7.3 p -126.32 143.68 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.521 ' N ' HG23 ' A' ' 30' ' ' VAL . 4.4 ttpm? -107.19 104.25 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLU . 21.9 t-80 -90.74 143.52 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -51.42 -49.92 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 33' ' ' VAL . 53.6 mt -62.35 -23.34 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.8 t60 -120.46 24.94 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 13.0 pt-20 -40.23 -35.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -40.62 -51.28 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -137.12 -175.81 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -113.71 114.89 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -50.04 172.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 18.2 tt0 -134.85 103.95 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.584 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 17.6 tp -34.16 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 21.9 m -103.26 138.79 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -74.05 130.46 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 81.9 t -150.45 137.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' HG13 ' A' ' 45' ' ' VAL . 13.3 tt0 -67.57 -49.13 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.13 146.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 28.3 p90 -161.41 -175.27 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -126.83 106.29 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.7 t -60.25 130.18 45.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.49 30.08 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 29.6 tttt -124.05 -61.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.4 p -101.39 -0.15 35.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 60.7 mt-10 65.09 50.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 19.7 mm-40 -126.96 -172.99 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.95 118.03 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -88.73 -178.06 46.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 p -158.98 139.56 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 111.141 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.707 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.6 mm 54.39 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.707 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.66 137.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.659 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.5 p -177.53 116.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 35.0 m-85 -73.34 98.43 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.3 OUTLIER -110.32 158.0 18.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.668 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 41.7 t -119.14 115.04 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -66.81 4.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.9 tt0 -112.32 -27.32 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASP . 21.7 m -130.96 18.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.612 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 m-20 34.29 54.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.5 t80 -94.19 172.16 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -159.72 121.29 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -135.11 177.74 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.529 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 3.5 m80 -91.92 150.01 21.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.24 -36.08 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -84.81 -43.69 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.426 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 98.3 m -57.67 -51.84 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.491 ' HB1' ' CG1' ' A' ' 30' ' ' VAL . . . -54.63 -51.66 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CD1' HG23 ' A' ' 59' ' ' ILE . 12.5 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -48.14 -34.08 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 12.7 tt0 -70.14 -29.56 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.0 mt -75.5 -33.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -101.22 31.73 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 21.0 mttt -60.49 -42.88 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -88.62 -27.23 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CE3' ' HB2' ' A' ' 73' ' ' ALA . 14.1 m0 -57.97 124.88 71.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.49 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.79 178.01 5.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.1 -32.22 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -127.98 119.19 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 62' ' ' TYR . 8.4 p -111.87 151.44 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -109.03 89.71 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.544 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 15.5 t-80 -72.62 155.45 40.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.78 -50.37 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.88 -24.79 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.8 t60 -122.38 27.98 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.68 -37.07 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 4.6 tt0 -37.32 -35.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -147.28 173.04 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -57.37 174.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.8 tt0 -135.07 103.98 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.583 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 17.1 tp -33.81 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.4 m -102.48 141.54 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' NE ' HG22 ' A' ' 59' ' ' ILE . 19.5 mmm-85 -74.88 132.43 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.0 t -153.03 138.62 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' N ' HG11 ' A' ' 45' ' ' VAL . 12.1 tt0 -68.73 -49.68 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 t -152.15 147.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 27.4 p90 -163.33 -175.12 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -127.44 107.26 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.0 t -62.19 147.11 48.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.16 30.42 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 11.7 tttp -126.81 -55.09 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 27.2 p -106.32 -1.25 23.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 45.9 mt-10 64.88 42.56 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 31.8 mm-40 -121.66 174.65 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -117.43 122.86 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.88 177.51 38.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 57' ' ' GLY . 76.3 p -155.1 140.4 17.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.683 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 4.3 mp 53.86 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.683 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 -178.71 135.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.647 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.0 p -177.65 118.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.6 m-85 -70.96 99.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 69.2 t60 -102.91 149.61 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.414 ' C ' ' H ' ' A' ' 66' ' ' GLU . 15.8 t -115.83 123.8 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.34 32.84 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' CYS . 6.6 tt0 -135.01 -38.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 1.4 m -127.13 -16.69 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 74.97 48.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 7.2 t80 -95.91 118.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -104.55 140.21 38.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 72.4 mt -146.45 178.09 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.52 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 10.3 m80 -93.74 154.56 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.593 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -58.97 -37.65 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -81.19 -41.29 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.8 m -56.55 -43.55 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -66.69 -52.72 41.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD21 ' CD ' ' A' ' 27' ' ' PRO . 48.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.506 ' CG ' HG22 ' A' ' 59' ' ' ILE . 12.0 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -46.04 -38.05 7.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 30.2 tt0 -62.62 -32.9 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.7 mt -71.77 -30.87 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -107.59 33.77 3.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 21' ' ' GLU . 7.0 mtpp -61.8 -44.09 97.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -88.64 -30.88 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -48.96 124.4 12.9 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.25 42.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -82.42 -35.76 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.8 mmmm -125.12 118.5 26.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG13 ' CB ' ' A' ' 76' ' ' ALA . 7.2 p -117.39 149.04 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -110.18 97.14 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.429 ' NE2' ' HD2' ' A' ' 52' ' ' LYS . 27.5 t-80 -76.68 161.23 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.5 p -74.8 -50.34 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.3 mt -61.49 -26.7 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 5.7 t60 -120.6 26.6 9.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -40.8 -38.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.9 mm-40 -33.39 -48.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -140.95 173.89 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -103.51 132.61 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.5 mm? -71.3 168.14 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.2 tt0 -130.4 105.29 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.579 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.2 tp -36.67 101.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 m -112.74 136.26 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -70.45 128.91 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.97 139.17 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.4 t -156.67 148.29 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -159.02 -175.07 5.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -129.52 106.36 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.8 t -62.76 122.87 16.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.16 30.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 33.3 tttt -121.87 -58.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -106.2 2.15 26.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 39.0 mt-10 64.03 47.78 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.4 mm-40 -128.25 171.13 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -117.58 123.24 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -92.81 -177.67 40.96 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -160.27 138.9 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.725 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.1 mm 57.7 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.725 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.91 134.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -171.99 117.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 25.6 m-85 -75.32 100.45 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 6.2 t60 -104.43 151.33 23.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.447 ' HB2' HD11 ' A' ' 40' ' ' LEU . 5.8 t -113.37 125.14 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -80.89 32.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.7 tp10 -134.88 -38.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 1.8 m -128.65 -7.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.443 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.4 m-20 64.74 46.9 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 10.5 t80 -95.29 122.58 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.21 151.47 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 32' ' ' HIS . 17.9 mt -156.38 178.22 10.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.539 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 7.2 m80 -95.06 150.63 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -54.9 -40.65 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 12.3 ptpt -79.93 -37.39 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 56.6 m -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 30' ' ' VAL . . . -71.14 -45.61 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CD1' HG22 ' A' ' 59' ' ' ILE . 17.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.44 -38.71 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.8 tt0 -58.61 -32.45 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.6 mt -77.16 -33.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . . . -104.62 36.2 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 6.8 mtmp? -64.41 -43.87 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -90.64 -29.5 17.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.564 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 17.2 m0 -50.21 124.12 17.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.569 0.7 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.465 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.75 177.02 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -94.87 -35.97 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.37 127.69 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 62' ' ' TYR . 12.3 p -123.09 143.69 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 83.94 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 19.5 t-80 -67.19 148.95 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.36 -47.74 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 7.7 t60 -118.8 25.56 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.4 pt-20 -36.48 -38.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -34.12 -55.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -134.66 179.61 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -110.86 115.33 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.3 mm? -54.41 170.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.03 106.04 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.582 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 15.1 tp -40.03 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 m -110.1 139.99 44.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 4.1 mmm180 -66.77 117.4 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.16 132.56 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -63.79 -54.97 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 48' ' ' TYR . 23.8 t -149.66 146.79 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.6 p90 -160.37 -178.29 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -123.48 105.31 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 42.6 t -60.87 119.73 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 16.0 t0 -86.68 31.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -124.09 -56.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.2 p -107.84 2.26 23.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 64.13 47.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 40.6 mm-40 -125.01 -174.01 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -131.23 119.12 21.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.45 -173.75 48.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 21.6 p -161.97 144.4 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.684 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.6 mm 46.32 24.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.684 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.0 m95 -178.71 131.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.652 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 8.5 t -174.67 120.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.495 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 23.9 m-85 -70.46 98.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.0 t60 -101.69 142.43 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.471 ' C ' ' H ' ' A' ' 66' ' ' GLU . 8.7 t -112.1 120.66 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.06 30.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 64' ' ' CYS . 1.3 tp10 -134.99 -34.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -135.02 21.97 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 13.0 m-20 35.43 46.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 8.4 t80 -94.86 126.75 40.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -112.85 149.81 32.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 47.0 mt -152.95 177.77 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -94.15 149.69 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.66 -42.9 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.48 -39.47 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.3 m -58.95 -46.55 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.13 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' CD ' ' A' ' 27' ' ' PRO . 14.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.0 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.39 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.07 -35.42 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.2 tp10 -67.17 -22.97 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.44 -28.77 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . . . -106.68 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 32.8 mttt -62.52 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.64 -30.35 19.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.62 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.7 m0 -49.04 126.32 14.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.472 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.78 154.04 68.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -77.23 -34.16 56.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.37 120.62 30.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 76' ' ' ALA . 7.2 p -113.58 140.41 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -96.71 86.64 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.678 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 8.7 t-80 -73.6 141.69 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.17 -47.44 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.01 -27.05 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.6 t60 -116.88 23.48 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.7 tt0 -30.22 -50.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' GLU . 18.3 mp0 -29.6 -61.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -132.76 156.73 46.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.04 120.84 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 32' ' ' HIS . 1.4 mm? -56.34 166.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -125.54 127.43 46.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.61 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -53.98 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 m -100.74 134.91 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH2' HD12 ' A' ' 59' ' ' ILE . 11.7 mmm-85 -70.25 126.21 28.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 46' ' ' GLN . 88.0 t -145.97 137.77 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.465 ' N ' HG11 ' A' ' 45' ' ' VAL . 56.3 tp60 -70.65 -48.57 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -151.36 146.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.683 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 36.6 p90 -163.6 -175.32 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -127.78 104.78 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.5 t -59.37 129.43 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.13 27.22 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 25.8 tttm -120.19 -54.57 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.8 p -110.8 2.32 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 63.32 50.51 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.0 mm-40 -124.8 -173.11 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.19 115.45 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -86.4 -178.67 49.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -158.29 137.33 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.101 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.2 mm 54.73 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.5 m95 -179.56 137.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.683 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 3.2 p -179.13 121.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 35.2 m-85 -76.5 98.88 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -111.53 158.0 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.643 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 43.0 t -119.05 114.6 22.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.13 2.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' CYS . 15.2 tt0 -108.16 -25.65 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.6 m -134.95 24.38 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.1 p-10 31.5 55.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' ASP . 1.1 t80 -94.3 172.8 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 4.5 m-20 -162.27 129.21 3.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 97.4 mt -144.3 177.77 8.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.563 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 10.4 m80 -91.41 150.52 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.26 -29.74 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -87.92 -41.96 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.468 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 33.9 m -56.01 -49.63 73.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 30' ' ' VAL . . . -61.77 -43.86 98.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD22 ' CD ' ' A' ' 27' ' ' PRO . 15.9 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.513 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.94 -39.14 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.7 tt0 -55.36 -32.04 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.7 -31.83 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -104.82 33.82 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 13.0 mttt -61.81 -42.52 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.21 -30.85 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.705 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.3 m0 -51.72 124.93 28.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 147.66 63.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -61.47 -38.41 87.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -132.59 129.22 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.529 ' CG1' ' HB1' ' A' ' 76' ' ' ALA . 6.9 p -119.6 151.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.16 86.99 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.579 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 28.0 t-80 -63.74 151.2 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -50.41 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.73 -26.11 68.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.4 t60 -121.33 25.66 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -41.08 -31.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -39.29 -48.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.94 148.05 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mp0 -81.11 113.84 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 2.2 mm? -50.54 171.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.31 101.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.6 tp -39.12 104.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -115.31 138.2 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' NH2' HD13 ' A' ' 59' ' ' ILE . 10.3 mmm-85 -65.86 122.48 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.24 133.97 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.54 -50.64 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -150.94 144.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.602 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.8 p90 -160.15 -175.28 4.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -124.99 120.97 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.7 t -82.71 119.47 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -86.45 29.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 10.9 tttp -119.64 -54.29 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.5 p -116.62 14.24 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 52.75 51.45 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 22.7 mm-40 -132.66 156.6 46.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 48' ' ' TYR . 5.5 tt0 -104.72 123.53 47.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.577 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -91.97 -179.58 41.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 p -155.84 144.17 20.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.161 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.721 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.9 mm 50.58 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.721 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.8 132.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.0 t -173.82 119.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 21.0 m-85 -69.25 99.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.5 t60 -102.36 144.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.499 ' C ' ' H ' ' A' ' 66' ' ' GLU . 4.8 t -116.47 119.7 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.49 31.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' CYS . 12.0 tt0 -135.01 -37.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -134.53 19.79 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.457 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER 37.39 50.48 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 t80 -95.01 122.13 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -107.66 143.91 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.579 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 75.2 mt -151.97 178.04 9.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.577 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 17.1 m80 -95.71 149.67 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.705 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.12 -35.17 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -82.41 -38.96 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' CYS . . . . . 0.446 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 45.5 m -60.78 -45.28 94.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' HB1' ' CG1' ' A' ' 30' ' ' VAL . . . -67.68 -41.0 84.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 27' ' ' PRO . 7.7 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -165.73 121.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 p -136.52 158.83 43.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 169.61 14.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -145.35 165.2 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 m -91.89 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.49 161.98 15.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.16 168.83 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.726 0.298 . . . . 0.0 111.159 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.53 178.39 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 66.62 28.8 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -128.5 42.51 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.63 93.39 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 -52.23 4.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.39 -49.31 56.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG22 ' CE2' ' A' ' 19' ' ' TYR . 49.9 mm -45.02 -56.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -45.04 -50.18 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.61 -43.22 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -55.74 -57.25 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 59' ' ' ILE . 16.5 m-85 -52.06 -50.21 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.84 -43.11 13.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -58.17 -31.26 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.69 -33.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.588 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -107.52 35.86 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -65.42 -41.14 93.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.72 -30.11 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.9 m0 -49.76 126.04 17.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' CD ' HD23 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.79 156.53 63.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -76.82 -35.03 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -123.8 120.16 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG12 ' CG ' ' A' ' 62' ' ' TYR . 14.5 p -109.66 149.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -108.56 84.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.534 ' CD2' HD11 ' A' ' 71' ' ' LEU . 17.7 t-80 -68.39 166.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -86.85 -46.71 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.96 -28.89 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 6.0 t60 -117.58 24.57 11.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.8 pt-20 -37.59 -39.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.9 mp0 -34.07 -49.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -138.92 161.61 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -94.41 115.6 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.0 mm? -53.74 165.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' LEU . 10.8 tt0 -127.91 103.88 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -36.64 102.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.6 m -111.71 135.5 52.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' NE ' HG23 ' A' ' 59' ' ' ILE . 10.6 mmm-85 -64.79 123.25 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.49 134.33 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -64.53 -52.03 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.4 t -152.91 144.78 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 14.1 p90 -158.03 -175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -126.11 107.46 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 41.8 t -61.62 127.35 31.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.57 33.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 36.1 tttm -127.7 -59.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 32.0 p -103.53 -0.14 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 65.57 49.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.6 mm-40 -126.69 -173.33 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -131.45 120.35 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.0 177.96 41.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 p -153.04 142.51 21.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.682 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 26.7 mm 48.76 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.682 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.4 m95 -177.89 129.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.611 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.9 t -170.88 122.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 76' ' ' ALA . 25.5 m-85 -72.51 98.98 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 81.4 t60 -103.83 149.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.478 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 13.9 t -117.52 121.66 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.45 33.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -134.79 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 m -127.15 -16.54 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.2 m-20 74.98 46.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 7.3 t80 -96.09 121.94 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.35 142.52 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 32' ' ' HIS . 38.8 mt -147.88 178.31 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 6.8 m80 -93.84 151.62 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.615 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.23 -44.22 83.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -75.94 -45.52 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.458 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 57.3 m -52.35 -47.26 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.545 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . . . -65.05 -46.74 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' CD ' ' A' ' 27' ' ' PRO . 15.1 mt -53.69 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 75' ' ' CYS . 1.3 p30 -75.05 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -118.72 -64.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.49 89.65 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 t -129.87 40.59 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -51.66 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.74 -61.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.4 m -99.17 176.98 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -143.09 -163.28 9.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 111.88 2.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -147.19 139.7 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -116.48 117.84 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.521 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -113.25 42.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 54.22 42.18 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.75 -90.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 69.36 41.7 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 p -97.22 148.58 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.75 -151.55 2.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -129.36 -43.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -129.1 136.02 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -82.04 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.77 156.65 42.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 mt -109.63 40.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -54.32 -59.99 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -79.65 -48.08 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mm -37.49 -54.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -49.68 -47.56 50.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.38 93.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -53.59 -49.9 66.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.557 ' CD2' HG23 ' A' ' 59' ' ' ILE . 22.4 m-85 -47.97 -52.36 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.6 -44.49 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 24' ' ' LYS . 11.4 tm-20 -52.83 -35.33 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -73.36 -32.97 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -107.82 35.32 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 18.3 mmtt -66.83 -41.16 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.39 -29.74 16.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -51.5 126.69 30.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.538 0.685 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.47 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.76 161.32 46.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -80.52 -36.43 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -120.49 133.43 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 76' ' ' ALA . 7.3 p -125.97 143.03 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' CA ' ' HG2' ' A' ' 39' ' ' GLU . 17.0 tptm -106.47 86.33 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.495 ' CG ' HD13 ' A' ' 71' ' ' LEU . 5.8 t-80 -74.3 158.91 33.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.31 -44.61 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.88 -27.31 69.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -124.61 29.47 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -43.32 -37.11 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' GLU . 40.6 mm-40 -34.1 -50.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -137.2 164.84 27.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HG2' ' CA ' ' A' ' 31' ' ' LYS . 29.9 mt-10 -97.42 112.99 24.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 2.1 mm? -51.8 171.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' LEU . 13.9 tt0 -135.53 100.79 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.586 HD21 ' CZ3' ' A' ' 60' ' ' TRP . 16.2 tp -34.4 100.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -110.62 139.92 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' NE ' HG22 ' A' ' 59' ' ' ILE . 10.9 mmm-85 -65.85 121.68 15.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' ILE . 46.9 t -140.42 135.75 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.63 -49.93 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 t -151.01 147.36 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 21.2 p90 -162.86 -175.06 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 m -128.43 105.33 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.8 t -62.93 136.01 57.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -100.81 33.54 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 52.1 tttt -127.02 -57.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.1 p -104.35 -3.02 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 65.0 mt-10 67.43 45.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 65.7 mm-40 -126.16 170.81 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -115.27 120.39 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.93 176.82 38.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.446 HG22 ' C ' ' A' ' 57' ' ' GLY . 80.5 p -152.5 141.5 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.712 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 4.3 mp 54.3 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.712 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.74 132.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.6 t -177.71 119.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.457 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 31.5 m-85 -68.29 100.07 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t60 -104.65 152.81 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.7 t -123.83 119.94 31.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.17 37.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 64' ' ' CYS . 8.7 tt0 -135.05 -36.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 2.0 m -128.42 -6.14 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.512 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.7 m-20 67.12 54.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.2 t80 -95.44 172.86 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -159.82 131.79 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 HD13 ' CG ' ' A' ' 32' ' ' HIS . 57.2 mt -142.95 177.96 8.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.475 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 12.0 m80 -94.1 154.95 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.1 -42.2 94.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -77.09 -44.8 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 44.5 m -52.35 -47.65 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -67.72 -53.42 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD21 ' CD ' ' A' ' 27' ' ' PRO . 5.9 mt -47.94 -43.78 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.99 129.52 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -128.58 43.57 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.36 42.44 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.7 p -140.93 126.95 19.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -40.72 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -48.47 137.41 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.0 p -149.22 130.29 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.62 129.09 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -63.06 115.49 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.1 p -97.8 117.83 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.515 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -116.96 81.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -160.42 143.41 13.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.29 -142.84 4.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -151.25 175.96 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -87.14 152.3 22.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.16 -124.52 7.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -139.06 154.64 48.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -92.54 159.71 15.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -98.27 -65.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -124.92 97.54 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -41.08 101.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -95.1 -67.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ILE . 5.9 tt0 -67.09 -51.76 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLU . 50.1 mm -35.4 -48.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 32.6 mt-10 -55.18 -48.73 73.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -49.54 -40.33 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.54 -48.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.4 m-85 -53.52 -48.17 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.86 -38.17 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HA ' ' CD ' ' A' ' 24' ' ' LYS . 34.5 tt0 -65.78 -35.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.14 -32.86 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.563 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -107.93 32.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 10.8 mtpp -60.64 -43.38 97.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.71 -29.52 18.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -51.13 124.44 22.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.563 0.697 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 145.71 57.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.41 -38.05 73.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' CG ' ' A' ' 41' ' ' GLU . 13.7 mttt -129.99 139.66 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG13 ' CD1' ' A' ' 62' ' ' TYR . 11.7 p -118.82 155.0 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -108.04 76.42 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 34' ' ' LEU . 25.4 t-80 -62.09 157.71 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -81.24 -47.22 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 29.4 mt -62.71 -24.09 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.1 t60 -120.32 25.64 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.0 pt-20 -37.76 -32.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -38.97 -52.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' ND1' ' OE1' ' A' ' 66' ' ' GLU . 1.1 m80 -141.6 160.44 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.9 110.97 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.1 mm? -50.73 158.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.482 ' CG ' ' HE3' ' A' ' 29' ' ' LYS . 14.7 tt0 -116.78 113.91 23.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 18.6 tp -48.24 99.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.5 m -107.31 137.68 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 3.6 mmm180 -69.91 110.21 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 46' ' ' GLN . 90.4 t -127.63 136.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 45' ' ' VAL . 9.4 tt0 -69.78 -47.43 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.5 t -152.08 145.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.1 p90 -161.45 -175.06 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 m -128.33 108.19 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.98 130.12 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -95.97 32.44 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.478 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 26.0 tttm -124.06 -49.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.8 p -116.5 1.78 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 63.18 48.2 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -128.72 165.95 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -111.87 119.53 38.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -89.08 -177.96 46.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 p -157.42 144.11 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 111.131 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 36.2 mm 50.65 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.86 134.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.618 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.0 t -177.15 116.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 76' ' ' ALA . 41.1 m-85 -65.3 99.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.435 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 77.8 t60 -103.16 146.45 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.461 ' C ' ' H ' ' A' ' 66' ' ' GLU . 10.0 t -118.74 116.66 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.81 35.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 16.6 tt0 -135.06 -35.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.55 -5.1 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 23.6 t70 64.39 48.27 2.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.9 t80 -97.94 126.0 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.04 144.88 39.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 HD11 ' CG ' ' A' ' 32' ' ' HIS . 57.4 mt -150.99 177.35 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 9.4 m80 -93.89 156.38 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.24 -41.06 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 18.5 ptpt -78.41 -42.45 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.478 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 51.0 m -55.29 -49.85 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.573 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . . . -65.53 -43.83 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.95 -47.72 82.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -104.06 118.01 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 80' ' ' ASP . 5.3 pm0 -87.96 -37.01 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' N ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -116.7 137.11 52.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.7 p -134.99 161.79 34.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -49.77 -41.44 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -161.25 142.32 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -70.02 173.89 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.33 165.59 26.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.8 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PRO . 3.2 t 33.72 42.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -60.69 -55.17 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -139.44 151.44 46.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 p -137.28 175.15 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.75 -153.96 11.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -162.28 161.22 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -126.76 121.31 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.83 100.59 2.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 p -111.09 164.05 13.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.78 7.39 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.97 -44.3 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -116.09 103.9 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -124.94 23.44 7.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -52.36 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' ILE . 13.7 tt0 -76.37 -52.01 10.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 mm -36.77 -42.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.28 -57.24 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.98 -44.17 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -50.14 -40.89 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.554 ' CD1' HG22 ' A' ' 59' ' ' ILE . 22.3 m-85 -62.35 -45.69 92.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -46.43 -39.94 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.8 mt -77.94 -33.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -108.16 35.55 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -62.56 -46.52 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.8 -28.97 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.693 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 22.0 m0 -46.72 127.79 8.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' CD ' HD23 ' A' ' 77' ' ' LEU . 54.0 Cg_endo -69.76 167.61 23.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.272 . . . . 0.0 112.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -90.76 -34.58 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -125.92 127.01 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 62' ' ' TYR . 13.1 p -125.57 142.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -100.06 96.53 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 9.3 t-80 -78.26 147.34 34.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.31 -49.91 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.1 mt -61.48 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.0 t60 -119.33 23.78 11.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' HIS . 8.8 pt-20 -34.99 -36.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' HIS . 32.4 mm-40 -40.63 -52.64 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -136.85 168.15 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -102.13 117.38 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 2.2 mm? -52.55 171.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.3 tt0 -133.31 106.54 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 17.1 tp -35.42 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.0 m -106.88 139.63 40.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' NE ' HG21 ' A' ' 59' ' ' ILE . 15.8 mmm-85 -72.49 129.95 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.4 t -149.59 136.84 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 45' ' ' VAL . 36.0 tt0 -66.8 -51.68 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.6 t -151.6 147.88 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.6 p90 -162.58 -175.18 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -127.51 104.77 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.2 t -58.92 141.21 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.09 30.56 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -125.91 -53.67 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.0 p -106.77 -4.96 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 3.2 mp0 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 11.5 mm-40 -127.54 -174.02 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.64 119.45 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.584 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -88.32 179.91 46.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.42 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -157.22 140.5 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.701 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.3 mm 51.73 25.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.701 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.6 m95 -178.5 136.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.661 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.8 p -177.26 119.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 27.8 m-85 -74.02 98.99 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 3.5 t60 -108.66 155.07 21.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.508 ' C ' ' H ' ' A' ' 66' ' ' GLU . 20.0 t -118.37 120.77 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 23.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -128.5 -30.51 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASP . 3.5 m -133.05 22.36 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.5 m-20 35.43 54.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.3 t80 -93.9 171.88 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -161.06 132.86 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 69.9 mt -147.09 178.44 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.584 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 8.5 m80 -91.46 147.12 23.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.693 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -55.75 -38.6 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 32.7 m -53.73 -48.68 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . . . -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD23 ' CD ' ' A' ' 27' ' ' PRO . 16.4 mt -65.74 -56.85 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 78' ' ' ASN . 1.0 OUTLIER -74.13 165.05 25.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -114.47 -45.37 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.26 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.0 m -115.87 133.57 55.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -111.61 147.16 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.66 165.59 19.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -41.25 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.69 179.46 22.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m -44.25 -52.73 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.7 t 61.13 42.16 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.471 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.549 -0.221 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -128.93 177.23 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -102.56 169.72 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.8 -115.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -146.29 166.91 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -148.44 164.16 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.81 167.01 10.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -84.78 134.06 34.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.38 114.27 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -120.05 -62.84 1.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -97.07 109.89 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.19 94.94 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -95.79 -60.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 19.5 tt0 -72.35 -47.16 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' GLU . 49.9 mm -37.74 -57.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.93 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -46.38 -45.57 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.554 ' CD1' HG22 ' A' ' 59' ' ' ILE . 19.4 m-85 -63.84 -46.15 86.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -49.71 -36.51 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.0 tt0 -61.98 -27.25 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.97 -31.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.606 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -108.78 34.27 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 29.9 mtmt -61.72 -42.89 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -89.61 -30.22 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.658 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -50.17 122.91 15.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 158.25 57.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.63 -35.32 45.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -123.29 118.69 28.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 31' ' ' LYS . 10.5 p -118.2 143.52 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' N ' HG23 ' A' ' 30' ' ' VAL . 11.0 tttp -101.48 89.09 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' CD2' HD11 ' A' ' 71' ' ' LEU . 32.1 t-80 -68.61 162.36 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -79.75 -48.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' N ' HG13 ' A' ' 33' ' ' VAL . 22.2 mt -63.19 -24.62 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' NE2' ' SG ' ' A' ' 67' ' ' CYS . 9.0 t60 -121.19 24.51 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -36.07 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.0 mp0 -33.68 -52.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -138.79 170.9 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' HG2' ' CB ' ' A' ' 31' ' ' LYS . 22.0 mt-10 -99.99 117.13 33.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.8 mm? -55.19 166.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 24.3 tt0 -128.42 99.89 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.587 HD21 ' CZ3' ' A' ' 60' ' ' TRP . 14.9 tp -35.2 98.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 m -109.46 139.2 44.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -68.05 126.79 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.84 135.08 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.84 -51.65 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 t -152.5 148.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 19.9 p90 -160.28 179.02 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -125.0 110.77 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 36.1 t -68.7 134.61 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' OD1' ' CE1' ' A' ' 69' ' ' PHE . 6.1 p-10 -96.66 22.91 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 70.2 tttt -116.43 -64.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 25.8 p -96.85 -0.71 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.88 39.42 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 70.5 mm-40 -121.43 166.52 13.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 48' ' ' TYR . 8.9 tt0 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.17 -176.22 42.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 33.2 p -160.16 142.8 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.165 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.71 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 31.8 mm 52.76 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.23 130.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.611 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -172.4 111.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 31.4 m-85 -64.14 99.48 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 42.9 t60 -104.31 149.81 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.456 ' C ' ' H ' ' A' ' 66' ' ' GLU . 38.9 t -112.82 123.49 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.78 28.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.456 ' H ' ' C ' ' A' ' 64' ' ' CYS . 26.0 tt0 -133.24 -50.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -111.54 -15.71 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.489 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 6.3 m-20 70.96 47.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 11.2 t80 -95.59 121.81 37.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -104.01 148.21 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -154.62 178.77 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.509 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 11.7 m80 -92.97 152.52 19.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.658 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.48 -44.4 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -75.18 -37.44 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.8 m -59.48 -47.55 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 62' ' ' TYR . . . -63.02 -44.28 96.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.5 mt -63.91 -49.18 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -75.5 108.48 8.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 14.3 tm-20 -94.23 118.76 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 79' ' ' GLU . 19.9 m-20 -168.69 157.02 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.9 p -126.7 39.23 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.17 47.0 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -98.15 -53.84 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.0 m -108.26 157.92 17.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.27 66.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -150.18 163.69 37.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 -49.01 7.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.511 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -164.23 150.71 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -149.6 174.89 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 152.28 18.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.18 157.8 27.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -133.96 157.82 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.27 -175.35 13.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.2 p -139.01 172.0 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 111.183 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 10.4 tt0 -53.12 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -122.04 -60.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -107.75 73.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' N ' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -41.17 102.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -86.48 -67.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' ILE . 66.6 tt0 -55.96 -57.29 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' GLU . 36.8 mm -34.76 -53.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.82 -48.86 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.71 66.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -55.73 -43.73 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.0 m-85 -66.19 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -48.61 -37.32 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.06 -29.26 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.19 -32.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB1' ' CZ2' ' A' ' 60' ' ' TRP . . . -108.13 34.78 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -66.46 -40.91 89.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.5 -29.07 16.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.4 m0 -48.08 125.23 11.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.67 69.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.03 -32.65 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -124.37 122.43 37.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.579 HG11 ' CD1' ' A' ' 62' ' ' TYR . 7.6 p -117.94 140.47 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 30' ' ' VAL . 2.0 tppp? -103.09 84.59 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.59 ' CD2' HD12 ' A' ' 71' ' ' LEU . 36.1 t-80 -69.29 155.5 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -71.88 -49.6 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.2 mt -61.4 -25.8 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 5.9 t60 -120.66 23.35 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLU . 12.4 pt-20 -38.21 -39.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' GLU . 6.4 mp0 -34.67 -46.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 3.7 m80 -142.45 163.55 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -95.17 117.5 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.1 mm? -55.59 168.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.7 tt0 -131.74 102.5 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -33.33 101.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.4 m -109.05 138.77 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.2 mmm180 -74.55 123.12 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.9 t -142.58 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.08 -50.7 67.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 t -153.1 147.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.666 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.7 p90 -162.55 -175.13 4.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.3 m -127.49 109.74 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 44.2 t -63.43 149.35 46.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.2 23.98 13.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 79' ' ' GLU . 17.3 tttm -122.07 -54.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.7 p -103.49 -2.57 26.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 64.81 31.16 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -110.89 -174.81 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -125.06 126.19 44.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.609 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -92.79 -179.31 40.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 p -157.57 141.93 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.288 . . . . 0.0 111.178 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.718 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 28.4 mm 50.94 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.718 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.8 m95 -178.46 136.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.666 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.6 p -175.73 118.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.579 ' CD1' HG11 ' A' ' 30' ' ' VAL . 26.7 m-85 -70.63 98.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 57.7 t60 -103.32 149.29 24.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' GLU . 12.8 t -115.24 118.77 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.29 33.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 64' ' ' CYS . 10.4 tt0 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.28 -16.54 6.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.559 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 9.1 t0 74.99 47.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.509 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.3 t80 -97.93 122.26 40.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.51 146.47 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.59 HD12 ' CD2' ' A' ' 32' ' ' HIS . 34.6 mt -150.81 178.46 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.609 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 9.8 m80 -97.22 152.87 18.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.4 -45.75 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -74.18 -43.64 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 35.8 m -53.52 -48.6 68.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . . . -68.6 -40.35 80.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.12 -50.23 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -144.73 167.63 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.451 ' HG3' ' CE ' ' A' ' 52' ' ' LYS . 5.5 tt0 -129.43 136.27 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -117.44 -18.01 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.462 ' CG2' ' HG3' ' A' ' 83' ' ' GLU . 83.3 m -162.27 133.33 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -127.76 49.73 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -129.44 173.28 10.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.451 ' C ' ' OE2' ' A' ' 83' ' ' GLU . 16.6 m -84.63 119.66 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.0 107.26 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 135.98 31.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -151.84 109.26 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.8 p -94.52 42.3 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.44 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -135.06 118.26 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -104.24 -60.32 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.77 -118.67 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 45.43 42.25 7.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -61.5 -49.85 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.79 -167.57 37.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -143.79 165.48 27.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.126 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' THR . 23.2 mm-40 -33.67 143.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -109.11 -58.26 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 11' ' ' ARG . 21.9 mtt-85 -115.22 83.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp -54.1 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -96.15 -55.22 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 15' ' ' ILE . 6.6 tp10 -83.55 -48.21 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 14' ' ' GLU . 49.5 mm -37.09 -45.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -56.98 -52.99 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.72 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -48.53 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.542 ' CD2' HG21 ' A' ' 59' ' ' ILE . 23.4 m-85 -49.48 -49.98 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.65 -37.48 5.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 29.6 tt0 -53.31 -35.82 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mt -75.44 -29.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -106.31 34.06 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.3 mttt -64.27 -41.31 96.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -91.7 -29.61 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 20.1 m0 -52.26 124.99 32.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.536 0.684 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.71 170.31 16.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.266 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -86.78 -36.91 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -121.88 120.37 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 62' ' ' TYR . 12.2 p -110.62 149.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -109.15 97.43 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.485 ' CG ' HD13 ' A' ' 71' ' ' LEU . 11.5 t-80 -87.82 159.22 18.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -76.97 -45.51 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' N ' HG13 ' A' ' 33' ' ' VAL . 84.7 mt -62.82 -28.09 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -121.95 28.05 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.1 pt-20 -39.96 -38.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -32.95 -53.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -136.56 169.95 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.75 109.76 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.8 mm? -45.43 171.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 42' ' ' LEU . 16.3 tt0 -134.31 101.44 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.9 tp -33.28 97.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' GLU . 23.2 m -108.82 135.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' NE ' HG23 ' A' ' 59' ' ' ILE . 16.4 mmm-85 -63.62 133.53 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -151.26 132.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -64.26 -50.67 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.2 t -155.0 144.85 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.639 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.8 p90 -157.12 -175.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -126.88 106.5 9.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 33.1 t -60.69 122.56 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.35 27.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -121.51 -64.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.3 p -98.49 1.34 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 64.24 45.76 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 59.3 mm-40 -120.58 -173.17 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -132.77 117.78 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.85 -179.44 47.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.2 p -156.24 137.88 14.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.71 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 28.3 mm 54.0 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.5 m95 -178.63 133.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.639 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 15.0 t -176.95 113.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CD1' HG12 ' A' ' 30' ' ' VAL . 36.2 m-85 -64.27 99.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 47.4 t60 -106.55 149.28 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 65' ' ' ASP . 24.2 t -128.67 74.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -25.0 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 tp10 -39.91 -53.0 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 m -114.57 -2.86 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.581 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.1 m-20 62.17 55.05 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.0 t80 -95.59 174.64 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -162.31 128.92 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 32' ' ' HIS . 19.0 mt -141.31 178.16 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 4.8 m80 -92.71 150.48 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.605 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.88 -38.82 86.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -80.42 -35.91 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 56.2 m -63.56 -53.11 56.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 30' ' ' VAL . . . -57.1 -45.61 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD21 ' CD ' ' A' ' 27' ' ' PRO . 26.6 mt -70.4 -37.32 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -102.83 88.05 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -49.07 -50.69 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.29 122.28 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 82' ' ' LYS . 2.7 m -124.33 31.4 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.9 tppt? 31.75 43.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.01 125.8 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.6 p -98.4 -51.56 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.84 63.99 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.36 46.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -71.12 117.52 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -117.87 165.09 14.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.17 -0.795 . . . . 0.0 112.48 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -163.08 161.47 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.818 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -161.56 176.81 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.8 162.53 36.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -151.74 154.28 35.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -144.42 152.98 41.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.18 -109.0 2.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -100.06 171.83 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.094 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 4.5 mp0 -46.62 132.04 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -132.31 121.55 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' LEU . 39.1 mtt85 55.44 46.05 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 11' ' ' ARG . 7.0 mp -35.88 100.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' CG ' ' H ' ' A' ' 14' ' ' GLU . 7.8 pttt -96.27 -59.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' H ' ' CG ' ' A' ' 13' ' ' LYS . 7.6 tp10 -63.2 -52.57 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.4 mm -39.16 -61.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 63.0 mm-40 -56.67 -44.17 81.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.03 -34.38 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -66.65 -58.55 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE1' HG22 ' A' ' 59' ' ' ILE . 10.0 m-85 -42.95 -40.09 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' LYS . 77.6 m-20 -48.02 -44.96 31.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' NZ ' ' A' ' 24' ' ' LYS . 20.2 tt0 -59.75 -24.28 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.9 -30.52 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.593 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -119.54 28.38 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.2 ptpp? -70.82 -26.85 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -96.26 -30.65 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 7.4 m0 -58.74 130.33 85.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.563 0.697 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' HD23 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.74 144.88 55.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.07 77.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -125.29 119.17 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 62' ' ' TYR . 12.5 p -116.29 144.48 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 30' ' ' VAL . 20.4 tptt -100.19 77.14 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.599 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 35.1 t-80 -58.94 159.38 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -78.66 -49.23 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 67.4 mt -63.08 -17.16 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.5 t60 -131.96 28.19 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -41.45 -37.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLU . 24.0 mp0 -34.13 -49.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -138.39 169.4 17.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -100.53 114.15 27.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.1 mm? -51.08 171.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 11.1 tt0 -135.32 102.6 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -33.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -109.72 133.25 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -69.04 125.12 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 95.7 t -143.08 136.33 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -64.5 -50.44 67.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 t -154.6 145.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.1 p90 -159.55 -174.96 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 m -129.39 110.93 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 49.0 t -66.82 147.86 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -107.64 25.56 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -120.71 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 18.7 p -97.55 -3.49 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 66.09 39.98 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 13.0 mm-40 -119.71 178.57 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -119.79 122.73 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.516 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.22 171.22 33.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 p -149.04 145.35 27.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 111.121 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.73 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 37.7 mm 50.74 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.73 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.3 m95 -178.62 138.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.642 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 9.7 p -177.53 117.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' CD1' HG11 ' A' ' 30' ' ' VAL . 35.0 m-85 -72.89 98.38 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 38.6 t60 -103.94 151.0 23.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.461 ' C ' ' H ' ' A' ' 66' ' ' GLU . 38.1 t -112.41 123.94 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.7 28.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 4.5 tp10 -134.92 -52.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.472 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -108.6 -17.24 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 71.21 50.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 18.9 t80 -100.72 122.75 43.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.24 150.98 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.599 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 21.5 mt -154.72 178.62 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.0 m80 -95.51 155.58 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -56.14 -45.18 79.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -75.15 -38.81 60.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.5 m -59.2 -45.05 92.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.532 ' HB1' ' CD2' ' A' ' 62' ' ' TYR . . . -68.01 -43.16 79.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD23 ' CD ' ' A' ' 27' ' ' PRO . 6.5 mt -64.18 -57.8 8.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -74.6 161.18 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -98.88 168.04 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -110.06 110.08 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -84.1 122.54 28.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 157.12 37.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 39.43 46.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 t -89.12 -57.03 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.8 145.51 10.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -171.95 172.98 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.5 p -78.78 -52.41 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.51 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -121.11 122.26 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 p -172.43 165.53 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.813 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 -115.14 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 t -151.95 142.45 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -66.36 160.05 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.61 131.86 5.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 p -138.65 177.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.79 164.05 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 72.18 25.23 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 12' ' ' LEU . 56.5 mtp85 -134.92 -41.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' ARG . 0.8 OUTLIER -31.25 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -93.87 -56.72 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.55 -46.69 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.3 mm -45.77 -56.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.0 -50.94 60.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.64 -43.39 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -55.83 -43.78 77.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.578 ' CD1' HG23 ' A' ' 59' ' ' ILE . 15.7 m-85 -65.86 -48.73 70.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.59 -38.7 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 8.3 tp10 -59.17 -30.84 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.59 -32.85 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -107.4 35.56 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 22.9 mttt -61.76 -44.67 96.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.23 -29.84 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.68 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.0 m0 -47.52 124.58 9.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.83 165.0 32.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -87.25 -35.65 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -118.95 129.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 31' ' ' LYS . 11.6 p -122.07 144.5 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -108.69 83.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 71' ' ' LEU . 3.0 t-80 -72.86 161.75 30.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.5 p -81.58 -41.32 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' N ' HG13 ' A' ' 33' ' ' VAL . 26.4 mt -63.87 -27.53 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' HD11 ' A' ' 40' ' ' LEU . 9.5 t60 -120.81 25.74 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 2.4 pp20? -35.14 -40.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' GLU . 31.2 mm-40 -31.61 -51.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -139.37 -179.46 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.22 116.59 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -59.49 165.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -128.18 125.81 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.6 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.8 tp -52.04 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -101.42 136.67 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.74 128.93 37.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 46' ' ' GLN . 94.3 t -149.01 139.13 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.474 ' N ' HG13 ' A' ' 45' ' ' VAL . 32.2 tt0 -69.68 -49.55 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 t -151.48 148.73 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 31.6 p90 -165.07 -175.16 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -128.34 106.67 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.1 t -60.86 151.22 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -109.91 27.75 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HZ1' ' CE1' ' A' ' 32' ' ' HIS . 29.6 tttp -126.46 -55.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.2 p -100.84 -4.68 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 66.07 30.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -111.14 -177.67 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 9.0 tt0 -122.48 121.19 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.685 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -86.6 -170.54 46.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.514 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 16.2 p -166.52 142.37 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.716 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.5 mm 49.83 25.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.716 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.03 137.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.658 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 31.4 p -178.07 120.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.588 ' CE2' ' HB1' ' A' ' 76' ' ' ALA . 36.7 m-85 -74.45 98.54 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 13.8 t60 -107.23 151.98 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' GLU . 4.4 t -117.75 118.55 32.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.89 35.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.0 tp10 -135.0 -36.43 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 3.2 m -125.59 -6.61 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.576 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 39.8 t0 66.69 54.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 1.9 t80 -95.49 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.58 125.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 32' ' ' HIS . 19.6 mt -135.6 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.685 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 12.3 m80 -95.67 148.72 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.68 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -52.22 -39.55 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -79.94 -42.05 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.3 m -54.71 -43.1 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.588 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -69.04 -43.36 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD22 ' CD ' ' A' ' 27' ' ' PRO . 17.0 mt -68.84 -64.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -95.98 167.29 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -133.36 125.29 28.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -104.2 135.07 46.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.7 m -89.23 -7.39 55.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -159.59 127.09 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -74.93 82.82 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.4 p -84.43 95.69 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.02 108.59 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 172.22 13.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -47.14 106.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.3 t 56.99 52.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.482 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -96.74 124.99 40.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -42.59 -54.51 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.74 118.93 6.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -86.96 101.64 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 7' ' ' GLY . 44.9 m -57.49 -44.4 84.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.36 113.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -47.43 138.74 7.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.24 137.05 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -112.29 -44.45 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -138.51 171.93 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.5 mt -131.74 85.05 2.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -80.23 -68.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' ILE . 7.2 tp10 -71.26 -51.72 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLU . 44.3 mm -35.24 -53.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.68 -45.33 77.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.32 -38.77 66.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -60.32 -37.12 79.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 17.0 m-30 -64.84 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -44.81 -39.86 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.05 -36.78 70.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -72.7 -35.81 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.572 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -105.98 25.04 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.3 ptpt -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 24.9 t0 -86.06 -31.73 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -53.66 128.28 52.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.82 149.08 66.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.06 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 9.1 mmtp -124.96 121.97 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 76' ' ' ALA . 13.8 p -116.51 146.92 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 tttm -108.17 104.24 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.523 ' CG ' HD11 ' A' ' 71' ' ' LEU . 7.3 t-80 -89.59 157.42 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.99 -49.48 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.13 -28.08 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -119.33 25.42 10.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -38.66 -39.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -37.45 -48.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -140.87 164.33 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.42 131.08 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 1.9 mm? -66.56 168.69 8.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -132.26 115.19 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 12.8 tp -40.18 103.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.2 m -111.62 135.78 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' NH1' HG21 ' A' ' 59' ' ' ILE . 5.8 mmm180 -68.89 122.55 18.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 46' ' ' GLN . 11.5 t -143.1 145.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 45' ' ' VAL . 46.3 tt0 -77.15 -49.17 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 t -154.47 149.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.511 ' CZ ' ' HA3' ' A' ' 57' ' ' GLY . 36.3 p90 -161.29 -175.06 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -128.37 104.51 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.0 t -59.05 124.22 19.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -91.56 29.08 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -122.9 -54.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.4 p -107.06 -2.17 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 67.1 47.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 25.8 mm-40 -126.52 -173.61 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.11 117.95 19.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -86.03 178.89 49.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.3 p -159.95 137.36 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.794 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 42.0 mm 60.84 24.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.794 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.3 m95 175.53 139.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -173.77 120.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CZ ' HD12 ' A' ' 42' ' ' LEU . 23.0 m-85 -78.12 99.81 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.594 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -112.61 151.03 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.407 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 6.3 t -107.26 126.01 51.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -81.61 34.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -134.86 -36.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -122.07 -15.58 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.594 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 5.2 t70 75.01 54.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' C ' ' OD1' ' A' ' 70' ' ' ASP . 2.4 t80 -94.94 171.92 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 m-20 -153.86 137.42 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 32' ' ' HIS . 76.8 mt -153.16 177.87 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.2 m80 -92.22 155.58 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.64 -38.74 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -80.56 -38.5 29.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 50.5 m -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . . . -64.49 -41.47 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD21 ' CD ' ' A' ' 27' ' ' PRO . 13.3 mt -64.61 -43.1 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.68 112.33 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.89 36.52 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.82 167.36 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.2 p -38.64 154.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -131.79 173.36 11.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.6 pt-20 -121.12 141.63 50.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.2 p -48.92 144.18 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.23 130.31 7.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.03 29.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.232 . . . . 0.0 112.33 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -45.16 115.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -125.8 106.33 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.539 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -60.35 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -46.8 163.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.24 123.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -119.77 159.22 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -153.56 150.68 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.28 -119.34 3.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -80.4 146.24 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -148.91 162.48 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 11' ' ' ARG . 1.6 pm0 -58.38 -36.87 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 10.2 ptt180 -125.34 137.87 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 19.8 mt -135.93 119.32 16.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -93.87 -50.18 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ILE . 3.4 tp10 -75.21 -52.69 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.53 HG22 ' CE2' ' A' ' 19' ' ' TYR . 37.8 mm -35.05 -52.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -46.1 -50.24 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.71 -50.03 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.7 -48.0 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.537 ' CD2' HG23 ' A' ' 59' ' ' ILE . 13.6 m-85 -67.48 -50.87 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -46.25 -37.74 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.29 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.28 -34.89 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . . . -101.64 31.19 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.86 -30.68 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.569 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 14.3 m0 -56.13 125.06 62.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 150.49 68.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -70.04 -36.68 75.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -126.19 118.43 25.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.587 HG12 ' CD1' ' A' ' 62' ' ' TYR . 7.7 p -112.63 154.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -110.09 83.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.585 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 35.5 t-80 -62.83 154.61 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -75.38 -48.94 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 96.7 mt -62.86 -23.04 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 8.6 t60 -121.98 26.51 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -38.53 -37.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.7 mm-40 -35.46 -49.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -139.65 175.49 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -104.77 125.51 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 32' ' ' HIS . 0.7 OUTLIER -63.45 168.13 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LEU . 8.9 tt0 -132.46 103.21 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.592 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 14.2 tp -35.39 101.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 m -109.19 143.57 38.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.5 mmm180 -78.29 124.03 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 85.7 t -143.8 135.7 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.413 ' N ' HG11 ' A' ' 45' ' ' VAL . 20.4 tt0 -63.08 -52.0 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.4 t -153.56 146.36 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.642 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 16.8 p90 -158.78 -175.01 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -128.63 106.43 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.0 t -59.55 131.85 52.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -96.94 28.69 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -123.63 -57.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -104.14 -1.75 26.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 65.83 51.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 18.5 mm-40 -127.31 -173.35 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -132.09 115.56 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.531 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -87.1 179.28 48.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -155.07 145.65 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.685 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.1 mm 48.51 24.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.8 m95 -178.7 138.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.642 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.1 p -176.6 117.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.587 ' CD1' HG12 ' A' ' 30' ' ' VAL . 15.8 m-85 -70.16 99.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 41.7 t60 -104.66 151.06 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' C ' ' H ' ' A' ' 66' ' ' GLU . 4.8 t -119.42 122.44 41.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.17 30.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.6 tp10 -134.97 -36.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -135.01 19.87 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 7.4 p-10 35.57 52.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 7.6 t80 -97.95 115.44 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.27 143.24 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.585 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 46.9 mt -149.75 177.92 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.7 m80 -92.2 141.81 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.566 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -50.8 -39.14 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -79.19 -39.76 32.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 16.6 m -57.25 -49.31 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -68.37 -41.99 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.06 -45.38 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -89.44 163.1 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 80' ' ' ASP . 4.7 pt-20 -109.2 -48.82 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 79' ' ' GLU . 6.0 t0 -32.69 111.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.8 m -119.92 130.56 54.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -129.38 81.64 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -51.79 142.4 15.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 p -146.3 146.66 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -149.72 108.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.5 m -149.94 146.66 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -81.52 -57.92 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.467 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -134.45 159.6 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -83.36 153.27 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.61 83.13 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -169.09 147.14 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 t -51.9 136.17 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.35 146.28 3.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.4 p -141.25 140.74 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' CA ' HD13 ' A' ' 12' ' ' LEU . 25.3 mt-10 -78.76 130.68 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -165.7 124.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 45.23 54.25 7.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD13 ' CA ' ' A' ' 9' ' ' GLU . 5.7 mp -78.93 43.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.63 -43.8 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -42.95 17.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.23 -58.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -43.49 -45.73 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.71 -40.94 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CD1' HG22 ' A' ' 59' ' ' ILE . 18.4 m-85 -61.11 -45.65 93.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -48.58 -38.26 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 57.2 tt0 -57.26 -31.24 65.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.52 -30.49 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.569 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -108.82 34.04 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 24.1 mttm -60.06 -45.79 91.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.41 -29.52 19.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -48.56 123.97 11.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HD2' ' CD2' ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 165.12 32.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.04 -35.61 20.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 12.3 mmtm -123.25 118.8 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG21 ' N ' ' A' ' 31' ' ' LYS . 6.8 p -122.99 144.53 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' N ' HG21 ' A' ' 30' ' ' VAL . 27.7 ttpt -105.04 103.13 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.547 ' CG ' ' CD1' ' A' ' 71' ' ' LEU . 29.2 t-80 -79.85 159.34 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.26 -49.46 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.98 -23.45 67.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 7.6 t60 -123.54 22.94 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' HIS . 17.3 pt-20 -38.91 -33.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -39.12 -51.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -134.8 171.61 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.42 124.29 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 2.0 mm? -61.07 169.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.6 tt0 -132.96 95.68 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 14.7 tp -32.34 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.6 m -113.34 139.59 48.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.464 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.8 mmm180 -71.08 127.22 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 46' ' ' GLN . 16.6 t -143.47 143.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' N ' HG12 ' A' ' 45' ' ' VAL . 4.8 tp-100 -69.68 -49.2 55.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.0 t -156.34 145.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' ' OG ' ' A' ' 61' ' ' SER . 27.9 p90 -157.45 -174.98 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.3 m -129.96 114.62 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 38.5 t -73.19 129.53 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.8 25.18 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 46.8 tttm -118.58 -67.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 24.6 p -95.32 5.0 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 58.22 40.05 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -120.95 169.13 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -113.86 125.69 54.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.506 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -93.48 -177.71 39.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 18.2 p -160.84 140.48 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.697 0.284 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.735 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.3 mm 57.06 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.735 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 178.09 132.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -171.95 116.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.0 m-85 -72.88 99.43 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 8.2 t60 -105.46 152.25 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.436 ' HB2' HD13 ' A' ' 40' ' ' LEU . 27.3 t -110.23 128.55 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 17.9 t0 -81.51 30.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.94 -53.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.3 m -107.98 -18.57 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.502 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 10.8 t0 75.0 45.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 22.0 t80 -95.16 121.88 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.08 153.74 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' CD1' ' CG ' ' A' ' 32' ' ' HIS . 21.6 mt -158.57 178.85 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 14.7 m80 -94.86 155.49 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.593 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.58 -45.49 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.54 -36.6 65.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 55.3 m -63.33 -43.84 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.62 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.147 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' CD2' ' HD2' ' A' ' 27' ' ' PRO . 80.3 mt -66.35 -56.91 8.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.39 148.96 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -104.57 123.44 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -128.77 86.6 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -55.38 101.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -131.48 42.25 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -46.39 158.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -168.94 174.75 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.44 128.77 18.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -109.19 83.59 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -125.44 -53.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.522 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -167.36 151.41 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -157.93 118.89 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.5 -97.69 2.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 66.66 43.01 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -132.86 102.44 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.61 -154.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -113.35 130.08 56.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.38 7.46 17.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -40.51 -48.55 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -112.35 119.2 37.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -109.25 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -86.34 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.47 -58.35 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.495 HG23 ' CE2' ' A' ' 19' ' ' TYR . 2.8 mp -41.63 -64.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.06 -53.21 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -41.27 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' HG22 ' A' ' 59' ' ' ILE . 24.2 m-85 -59.85 -44.3 94.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' LYS . 30.9 m-20 -44.25 -43.52 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.77 -37.69 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.0 mt -71.63 -32.09 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -112.18 26.48 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASP . 13.7 ptpt -64.36 -34.51 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.51 -30.46 13.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.592 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 15.9 m0 -53.54 126.38 47.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.571 0.701 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.465 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 147.76 63.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.353 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -69.7 -36.32 75.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -123.87 119.68 30.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' CD1' ' A' ' 62' ' ' TYR . 14.8 p -115.73 149.69 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -104.58 81.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.575 ' CD2' HD11 ' A' ' 71' ' ' LEU . 29.3 t-80 -62.89 151.55 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.39 -49.07 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.4 mt -61.89 -26.52 68.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.9 t60 -119.28 27.41 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.3 pt-20 -37.82 -38.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 43.2 mp0 -34.96 -51.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.27 174.17 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -106.92 117.36 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.489 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.2 mm? -57.46 167.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' LEU . 38.4 tt0 -130.18 108.64 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 13.8 tp -37.33 103.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.5 m -111.43 142.74 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.4 mmm180 -76.76 125.5 29.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.94 137.94 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.21 -51.5 57.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 t -151.45 148.13 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.665 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 25.3 p90 -162.14 -175.06 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.8 m -127.47 108.92 11.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.04 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -107.08 31.73 5.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' CE ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 tttm -126.51 -56.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -105.83 -4.1 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 42.5 mt-10 69.08 43.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.52 167.4 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -109.35 127.22 54.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -95.72 -178.17 36.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 57' ' ' GLY . 28.1 p -158.5 143.91 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 35.2 mm 50.92 24.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.1 m95 -179.28 137.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.665 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.5 p -177.7 116.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.489 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 31.2 m-85 -69.51 98.42 1.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 53.3 t60 -103.12 144.64 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.496 ' C ' ' H ' ' A' ' 66' ' ' GLU . 5.3 t -112.64 121.07 43.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.54 30.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' H ' ' C ' ' A' ' 64' ' ' CYS . 9.8 tt0 -134.97 -35.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.8 m -134.97 19.55 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 25.4 t0 36.86 49.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 10.1 t80 -96.49 118.55 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -103.28 149.24 24.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 32' ' ' HIS . 39.1 mt -153.17 178.59 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.483 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 5.4 m80 -94.22 156.99 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -62.07 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -76.85 -41.9 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 41.5 m -54.52 -49.08 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.59 81.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' CD ' ' A' ' 27' ' ' PRO . 7.4 mt -59.63 -61.66 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.83 153.73 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.456 ' HG3' ' CE ' ' A' ' 52' ' ' LYS . 38.0 tt0 -98.21 104.51 16.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -175.36 124.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.9 t -125.05 77.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 148.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 84' ' ' SER . 3.2 pp20? -100.16 -45.58 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 4.3 m -49.29 -56.51 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.37 -140.4 16.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.58 67.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.8 m -141.15 134.43 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 t -130.43 118.88 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -135.41 136.01 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -89.31 148.25 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.69 174.97 5.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -130.37 161.82 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -132.05 166.84 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.45 167.39 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -78.43 147.86 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.38 153.75 43.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -77.41 -51.54 10.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.94 121.49 24.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.79 40.36 3.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -50.2 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -55.13 -59.49 4.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG22 ' CE2' ' A' ' 19' ' ' TYR . 31.8 mm -38.33 -62.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.29 -47.8 13.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.3 98.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -54.04 -42.88 69.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CD2' HG21 ' A' ' 59' ' ' ILE . 22.9 m-85 -56.42 -49.03 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -41.11 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 18.8 tt0 -56.59 -36.13 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.78 -33.37 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 60' ' ' TRP . . . -103.72 34.93 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 8.3 mtpp -63.44 -46.11 87.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.0 -29.78 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 73' ' ' ALA . 13.9 m0 -53.16 124.81 39.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.531 0.681 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.96 36.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -82.83 -35.69 26.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -126.08 118.2 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 13.9 p -116.21 143.5 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -102.26 87.36 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.583 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.9 t-80 -66.25 150.27 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -69.8 -49.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 33.2 mt -63.32 -18.67 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 8.5 t60 -130.7 25.14 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' HIS . 15.0 pt-20 -39.76 -36.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mp0 -33.52 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 8.1 m80 -141.77 164.95 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -99.07 114.35 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 3.0 mm? -52.06 171.69 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' LEU . 9.4 tt0 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.603 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.6 tp -26.84 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -109.48 140.21 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' NE ' HG23 ' A' ' 59' ' ' ILE . 15.1 mmm-85 -73.55 128.47 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 69.9 t -147.65 141.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -71.04 -50.27 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.8 t -153.16 147.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.658 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 26.6 p90 -162.58 -175.04 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -127.44 108.75 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.1 t -63.43 123.52 18.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -87.36 32.27 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -126.41 -64.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -98.21 1.77 47.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 62.95 49.44 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.49 -173.09 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -131.58 119.48 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -90.57 179.21 43.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.4 p -155.52 142.83 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 21.7 mm 51.44 25.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.732 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 6.3 m95 -179.5 136.9 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.658 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.9 p -174.6 126.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB1' ' A' ' 76' ' ' ALA . 24.7 m-85 -79.34 97.88 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 58.5 t60 -102.85 154.08 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.517 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 4.3 t -121.45 119.43 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 16.6 t0 -77.89 33.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 64' ' ' CYS . 19.1 tt0 -134.84 -37.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.72 -6.06 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 16.6 t70 63.82 54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 9.3 t80 -105.03 118.43 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 15.1 m-20 -102.37 145.45 29.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -149.55 178.48 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.3 m80 -93.04 150.62 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -57.74 -41.19 81.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -78.55 -40.57 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 28.4 m -55.92 -47.4 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 62' ' ' TYR . . . -67.23 -41.53 85.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.36 -59.75 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -85.14 93.96 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.69 92.62 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -105.33 138.26 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.0 p -46.42 164.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.05 153.04 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -151.79 112.56 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -58.37 155.23 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.72 140.41 16.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 141.84 46.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 t -38.79 -52.12 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -106.32 159.81 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.521 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -156.18 176.48 12.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.6 p -125.33 147.19 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.35 -176.18 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -142.41 164.9 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -113.02 -61.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.4 -151.46 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -145.4 149.02 33.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 111.161 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -63.14 131.44 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -125.25 -47.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -94.24 69.62 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -39.64 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -96.39 -45.37 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.57 -47.19 50.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 18' ' ' LYS . 43.4 mm -43.71 -64.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' ILE . 31.7 mt-10 -35.74 -57.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.67 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ILE . 24.7 mmtp -51.61 -45.26 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.54 ' CD2' HG21 ' A' ' 59' ' ' ILE . 21.3 m-85 -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -48.47 -35.22 12.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 22.3 tp10 -58.32 -31.71 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.27 -31.52 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -102.2 30.13 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.6 mttm -62.07 -46.81 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.31 -26.69 24.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 73' ' ' ALA . 25.0 m0 -57.04 125.97 71.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.77 7.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -92.24 -36.1 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -122.16 128.49 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 62' ' ' TYR . 7.3 p -126.32 143.68 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' N ' HG23 ' A' ' 30' ' ' VAL . 4.4 ttpm? -107.19 104.25 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLU . 21.9 t-80 -90.74 143.52 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -51.42 -49.92 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' N ' HG13 ' A' ' 33' ' ' VAL . 53.6 mt -62.35 -23.34 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.8 t60 -120.46 24.94 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 13.0 pt-20 -40.23 -35.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -40.62 -51.28 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -137.12 -175.81 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -113.71 114.89 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -50.04 172.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 18.2 tt0 -134.85 103.95 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.584 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 17.6 tp -34.16 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 21.9 m -103.26 138.79 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -74.05 130.46 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 81.9 t -150.45 137.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.438 ' N ' HG13 ' A' ' 45' ' ' VAL . 13.3 tt0 -67.57 -49.13 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.13 146.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 28.3 p90 -161.41 -175.27 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -126.83 106.29 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.7 t -60.25 130.18 45.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.49 30.08 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 29.6 tttt -124.05 -61.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.4 p -101.39 -0.15 35.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 60.7 mt-10 65.09 50.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 19.7 mm-40 -126.96 -172.99 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.95 118.03 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -88.73 -178.06 46.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 p -158.98 139.56 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 111.141 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.707 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.6 mm 54.39 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.707 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.66 137.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.659 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.5 p -177.53 116.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 35.0 m-85 -73.34 98.43 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.3 OUTLIER -110.32 158.0 18.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.668 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 41.7 t -119.14 115.04 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -66.81 4.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.9 tt0 -112.32 -27.32 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASP . 21.7 m -130.96 18.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.612 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 m-20 34.29 54.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.5 t80 -94.19 172.16 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -159.72 121.29 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -135.11 177.74 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.529 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 3.5 m80 -91.92 150.01 21.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.24 -36.08 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 78' ' ' ASN . 7.5 ptmt -84.81 -43.69 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.426 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 98.3 m -57.67 -51.84 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.491 ' HB1' ' CG1' ' A' ' 30' ' ' VAL . . . -54.63 -51.66 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.83 -67.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LYS . 10.9 t-20 -56.49 103.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -91.39 109.58 20.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.95 110.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -66.77 -6.81 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.34 145.02 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.85 119.71 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t -90.21 -41.04 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 87' ' ' SER . . . -119.69 111.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 14.89 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 85' ' ' GLY . 28.3 t -71.76 -57.85 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -98.45 175.96 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.485 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -53.36 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.81 159.68 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -39.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -103.23 84.4 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.789 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.1 118.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.93 162.65 35.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 p -96.47 177.71 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.741 0.305 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 12' ' ' LEU . 4.2 mp0 -79.41 11.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -97.9 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 63.63 55.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -65.69 74.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -55.78 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 17.1 tt0 -46.28 -59.09 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.96 -65.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 18.0 mm-40 -41.14 -45.31 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 14' ' ' GLU . . . -52.46 -40.97 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -54.98 -51.04 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CD1' HG23 ' A' ' 59' ' ' ILE . 12.5 m-85 -49.41 -57.83 6.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -48.14 -34.08 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 12.7 tt0 -70.14 -29.56 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.0 mt -75.5 -33.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.582 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -101.22 31.73 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 21.0 mttt -60.49 -42.88 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -88.62 -27.23 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CE3' ' HB2' ' A' ' 73' ' ' ALA . 14.1 m0 -57.97 124.88 71.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.49 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.79 178.01 5.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.1 -32.22 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -127.98 119.19 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 62' ' ' TYR . 8.4 p -111.87 151.44 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -109.03 89.71 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.544 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 15.5 t-80 -72.62 155.45 40.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.78 -50.37 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.6 mt -63.88 -24.79 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.8 t60 -122.38 27.98 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.68 -37.07 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 4.6 tt0 -37.32 -35.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -147.28 173.04 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -57.37 174.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.8 tt0 -135.07 103.98 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.583 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 17.1 tp -33.81 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.4 m -102.48 141.54 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' NE ' HG22 ' A' ' 59' ' ' ILE . 19.5 mmm-85 -74.88 132.43 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.0 t -153.03 138.62 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' N ' HG11 ' A' ' 45' ' ' VAL . 12.1 tt0 -68.73 -49.68 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 t -152.15 147.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.647 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 27.4 p90 -163.33 -175.12 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -127.44 107.26 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.0 t -62.19 147.11 48.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.16 30.42 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 11.7 tttp -126.81 -55.09 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 27.2 p -106.32 -1.25 23.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 45.9 mt-10 64.88 42.56 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 31.8 mm-40 -121.66 174.65 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -117.43 122.86 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.88 177.51 38.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.426 HG21 ' C ' ' A' ' 57' ' ' GLY . 76.3 p -155.1 140.4 17.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.683 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 4.3 mp 53.86 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.683 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 -178.71 135.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.647 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.0 p -177.65 118.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.6 m-85 -70.96 99.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.549 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 69.2 t60 -102.91 149.61 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.414 ' C ' ' H ' ' A' ' 66' ' ' GLU . 15.8 t -115.83 123.8 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.34 32.84 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' CYS . 6.6 tt0 -135.01 -38.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 1.4 m -127.13 -16.69 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 74.97 48.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 7.2 t80 -95.91 118.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -104.55 140.21 38.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 72.4 mt -146.45 178.09 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.52 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 10.3 m80 -93.74 154.56 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.593 ' HB2' ' CE3' ' A' ' 26' ' ' TRP . . . -58.97 -37.65 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 10.3 ptpp? -81.19 -41.29 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.8 m -56.55 -43.55 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' CB ' HG11 ' A' ' 30' ' ' VAL . . . -66.69 -52.72 41.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD21 ' CD ' ' A' ' 27' ' ' PRO . 48.9 mt -70.75 -65.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LYS . 3.1 t-20 -65.41 161.06 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -122.55 109.92 14.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.63 150.92 42.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.1 t -101.27 163.01 12.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -89.53 92.0 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -118.93 170.13 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 m -114.1 90.27 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.04 -138.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.59 16.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -55.09 -52.75 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.4 t -61.13 113.46 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -170.14 175.79 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -143.92 164.73 29.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.21 -162.0 11.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -148.9 150.35 32.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -101.07 145.27 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 46.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -155.94 142.77 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.14 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -121.67 145.02 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -112.24 -62.17 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -111.18 134.54 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 24.4 mt -113.41 77.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -64.81 -55.11 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.64 -45.76 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 ' CG1' ' HB3' ' A' ' 12' ' ' LEU . 49.8 mm -55.02 -62.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -39.99 -48.54 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.12 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.16 -45.75 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.506 ' CG ' HG22 ' A' ' 59' ' ' ILE . 12.0 m-85 -62.18 -49.21 76.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -46.04 -38.05 7.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 30.2 tt0 -62.62 -32.9 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.7 mt -71.77 -30.87 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB1' ' CE3' ' A' ' 26' ' ' TRP . . . -107.59 33.77 3.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 21' ' ' GLU . 7.0 mtpp -61.8 -44.09 97.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -88.64 -30.88 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -48.96 124.4 12.9 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.25 42.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -82.42 -35.76 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.8 mmmm -125.12 118.5 26.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG13 ' CB ' ' A' ' 76' ' ' ALA . 7.2 p -117.39 149.04 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -110.18 97.14 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.429 ' NE2' ' HD2' ' A' ' 52' ' ' LYS . 27.5 t-80 -76.68 161.23 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.5 p -74.8 -50.34 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.3 mt -61.49 -26.7 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 5.7 t60 -120.6 26.6 9.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -40.8 -38.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.9 mm-40 -33.39 -48.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -140.95 173.89 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -103.51 132.61 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.5 mm? -71.3 168.14 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.2 tt0 -130.4 105.29 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.579 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.2 tp -36.67 101.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 m -112.74 136.26 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.455 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -70.45 128.91 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.97 139.17 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.4 t -156.67 148.29 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -159.02 -175.07 5.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -129.52 106.36 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.8 t -62.76 122.87 16.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.16 30.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 33.3 tttt -121.87 -58.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -106.2 2.15 26.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 39.0 mt-10 64.03 47.78 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.4 mm-40 -128.25 171.13 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -117.58 123.24 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -92.81 -177.67 40.96 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 p -160.27 138.9 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.725 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.1 mm 57.7 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.725 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.91 134.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -171.99 117.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.506 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 25.6 m-85 -75.32 100.45 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 6.2 t60 -104.43 151.33 23.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.447 ' HB2' HD11 ' A' ' 40' ' ' LEU . 5.8 t -113.37 125.14 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -80.89 32.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.7 tp10 -134.88 -38.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 1.8 m -128.65 -7.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.443 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.4 m-20 64.74 46.9 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 10.5 t80 -95.29 122.58 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.21 151.47 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 32' ' ' HIS . 17.9 mt -156.38 178.22 10.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.539 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 7.2 m80 -95.06 150.63 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -54.9 -40.65 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 12.3 ptpt -79.93 -37.39 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 56.6 m -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' CB ' HG13 ' A' ' 30' ' ' VAL . . . -71.14 -45.61 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.26 -57.4 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -124.2 114.69 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 154.34 36.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -166.84 157.24 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.1 t -127.54 125.55 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -136.22 146.09 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -98.12 129.11 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.1 p -127.95 166.57 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 87' ' ' SER . . . -87.77 -167.37 43.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 11.73 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 85' ' ' GLY . 97.5 p -108.59 118.86 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 t -85.91 120.18 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -123.84 143.41 50.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.385 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -91.64 134.97 34.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.7 -145.73 9.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t -153.14 158.52 41.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -99.68 -45.32 5.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.96 -109.54 1.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.7 p -71.76 162.56 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -108.72 154.07 22.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.52 -59.2 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 11' ' ' ARG . 12.2 mtm105 -98.21 103.28 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' C ' ' OE2' ' A' ' 16' ' ' GLU . 5.6 mp -92.96 45.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -51.94 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -49.77 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mm -44.23 -45.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 17.9 mt-10 -55.94 -46.66 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.6 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -51.54 -44.42 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CD1' HG22 ' A' ' 59' ' ' ILE . 17.1 m-85 -73.54 -49.48 26.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.44 -38.71 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.8 tt0 -58.61 -32.45 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.6 mt -77.16 -33.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . . . -104.62 36.2 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 6.8 mtmp? -64.41 -43.87 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -90.64 -29.5 17.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.564 ' CE3' ' HB1' ' A' ' 23' ' ' ALA . 17.2 m0 -50.21 124.12 17.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.569 0.7 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.465 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.75 177.02 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -94.87 -35.97 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.37 127.69 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 62' ' ' TYR . 12.3 p -123.09 143.69 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 83.94 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.606 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 19.5 t-80 -67.19 148.95 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 p -69.36 -47.74 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 7.7 t60 -118.8 25.56 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.4 pt-20 -36.48 -38.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -34.12 -55.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -134.66 179.61 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -110.86 115.33 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . 1.3 mm? -54.41 170.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.03 106.04 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.582 HD23 ' CZ3' ' A' ' 60' ' ' TRP . 15.1 tp -40.03 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 m -110.1 139.99 44.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 4.1 mmm180 -66.77 117.4 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.16 132.56 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -63.79 -54.97 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 48' ' ' TYR . 23.8 t -149.66 146.79 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.652 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.6 p90 -160.37 -178.29 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -123.48 105.31 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 42.6 t -60.87 119.73 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 16.0 t0 -86.68 31.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -124.09 -56.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.2 p -107.84 2.26 23.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 64.13 47.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 40.6 mm-40 -125.01 -174.01 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -131.23 119.12 21.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.45 -173.75 48.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 57' ' ' GLY . 21.6 p -161.97 144.4 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.684 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.6 mm 46.32 24.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.684 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.0 m95 -178.71 131.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.652 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 8.5 t -174.67 120.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.495 ' HB3' ' CB ' ' A' ' 40' ' ' LEU . 23.9 m-85 -70.46 98.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.0 t60 -101.69 142.43 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.471 ' C ' ' H ' ' A' ' 66' ' ' GLU . 8.7 t -112.1 120.66 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.06 30.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 64' ' ' CYS . 1.3 tp10 -134.99 -34.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -135.02 21.97 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 13.0 m-20 35.43 46.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 8.4 t80 -94.86 126.75 40.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -112.85 149.81 32.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.606 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 47.0 mt -152.95 177.77 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -94.15 149.69 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.66 -42.9 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.48 -39.47 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.3 m -58.95 -46.55 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.13 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' CD ' ' A' ' 27' ' ' PRO . 14.3 mt -66.96 -62.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -116.89 162.58 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -115.72 -45.42 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -63.41 120.06 10.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.7 t -132.33 -3.94 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -120.33 157.3 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -72.23 148.09 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.0 m -59.27 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.34 179.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.18 22.71 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.3 p -120.21 133.43 55.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 m -134.98 152.19 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.462 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -161.24 149.31 15.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -145.83 165.53 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.47 -52.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 p 37.91 41.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -65.57 170.08 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.1 107.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.9 p -87.51 146.65 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.288 . . . . 0.0 111.132 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -86.97 119.07 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -119.56 -46.14 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 49.7 mtt180 -121.61 112.83 18.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 20.0 mt -110.02 103.77 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -86.96 -50.34 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' ILE . 8.5 tp10 -68.48 -53.06 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.426 HG22 ' CZ ' ' A' ' 19' ' ' TYR . 49.1 mm -36.88 -60.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 62.0 mt-10 -39.59 -44.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.16 -43.68 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -52.6 -55.8 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.0 m-85 -46.89 -47.77 21.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.07 -35.42 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.2 tp10 -67.17 -22.97 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.44 -28.77 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . . . -106.68 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 32.8 mttt -62.52 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.64 -30.35 19.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.62 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.7 m0 -49.04 126.32 14.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.472 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.78 154.04 68.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -77.23 -34.16 56.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.37 120.62 30.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 76' ' ' ALA . 7.2 p -113.58 140.41 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -96.71 86.64 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.678 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 8.7 t-80 -73.6 141.69 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.17 -47.44 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.01 -27.05 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.6 t60 -116.88 23.48 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.7 tt0 -30.22 -50.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' GLU . 18.3 mp0 -29.6 -61.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -132.76 156.73 46.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.04 120.84 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 32' ' ' HIS . 1.4 mm? -56.34 166.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -125.54 127.43 46.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.61 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -53.98 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 m -100.74 134.91 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' NH2' HD12 ' A' ' 59' ' ' ILE . 11.7 mmm-85 -70.25 126.21 28.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 46' ' ' GLN . 88.0 t -145.97 137.77 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' N ' HG11 ' A' ' 45' ' ' VAL . 56.3 tp60 -70.65 -48.57 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -151.36 146.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.683 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 36.6 p90 -163.6 -175.32 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -127.78 104.78 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.5 t -59.37 129.43 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.13 27.22 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 25.8 tttm -120.19 -54.57 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.8 p -110.8 2.32 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 63.32 50.51 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.0 mm-40 -124.8 -173.11 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.19 115.45 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -86.4 -178.67 49.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -158.29 137.33 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.101 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.2 mm 54.73 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.5 m95 -179.56 137.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.683 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 3.2 p -179.13 121.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CZ ' HD11 ' A' ' 42' ' ' LEU . 35.2 m-85 -76.5 98.88 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -111.53 158.0 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.643 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 43.0 t -119.05 114.6 22.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.13 2.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' CYS . 15.2 tt0 -108.16 -25.65 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.535 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.6 m -134.95 24.38 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.586 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.1 p-10 31.5 55.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' ASP . 1.1 t80 -94.3 172.8 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 4.5 m-20 -162.27 129.21 3.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.678 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 97.4 mt -144.3 177.77 8.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.563 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 10.4 m80 -91.41 150.52 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.26 -29.74 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -87.92 -41.96 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.468 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 33.9 m -56.01 -49.63 73.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 30' ' ' VAL . . . -61.77 -43.86 98.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD22 ' CD ' ' A' ' 27' ' ' PRO . 15.9 mt -63.95 -62.2 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -77.14 178.57 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -137.78 112.65 9.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -123.35 -16.64 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.4 p 39.26 46.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 5.3 tppp? -59.38 148.56 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 11.4 pt-20 -66.56 156.39 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 p -137.85 167.05 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.46 154.07 24.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.42 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.268 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 p 40.2 42.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t 47.62 43.42 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.503 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -156.63 171.04 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -163.23 176.56 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.65 160.42 27.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.541 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -147.75 138.91 23.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.4 m -132.85 156.23 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.59 -143.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 m -94.61 -52.34 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -158.22 150.69 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -94.35 -67.41 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 13' ' ' LYS . 29.3 mtt180 -114.6 -17.42 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' HG ' ' C ' ' A' ' 11' ' ' ARG . 2.1 pp 33.11 30.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' ARG . 14.6 mmtp -42.66 -63.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.9 tt0 -47.35 -59.82 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' CD1' ' H ' ' A' ' 15' ' ' ILE . 3.7 mp -35.84 -52.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -44.46 -54.42 5.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -40.41 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -43.18 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.513 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 -62.43 -46.81 86.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.94 -39.14 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.7 tt0 -55.36 -32.04 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.7 -31.83 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . . . -104.82 33.82 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 13.0 mttt -61.81 -42.52 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.21 -30.85 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.705 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.3 m0 -51.72 124.93 28.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' CD ' HD22 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 147.66 63.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -61.47 -38.41 87.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -132.59 129.22 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.529 ' CG1' ' HB1' ' A' ' 76' ' ' ALA . 6.9 p -119.6 151.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -104.16 86.99 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.579 ' CD2' ' CD1' ' A' ' 71' ' ' LEU . 28.0 t-80 -63.74 151.2 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -50.41 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.73 -26.11 68.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.4 t60 -121.33 25.66 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -41.08 -31.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -39.29 -48.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.94 148.05 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mp0 -81.11 113.84 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 64' ' ' CYS . 2.2 mm? -50.54 171.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.31 101.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.6 tp -39.12 104.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -115.31 138.2 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' NH2' HD13 ' A' ' 59' ' ' ILE . 10.3 mmm-85 -65.86 122.48 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.24 133.97 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.54 -50.64 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 t -150.94 144.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.602 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.8 p90 -160.15 -175.28 4.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -124.99 120.97 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.7 t -82.71 119.47 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -86.45 29.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 10.9 tttp -119.64 -54.29 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.5 p -116.62 14.24 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 52.75 51.45 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 22.7 mm-40 -132.66 156.6 46.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 48' ' ' TYR . 5.5 tt0 -104.72 123.53 47.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.577 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -91.97 -179.58 41.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 p -155.84 144.17 20.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.161 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.721 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.9 mm 50.58 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.721 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.8 132.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.0 t -173.82 119.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 21.0 m-85 -69.25 99.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.5 t60 -102.36 144.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.499 ' C ' ' H ' ' A' ' 66' ' ' GLU . 4.8 t -116.47 119.7 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.49 31.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 64' ' ' CYS . 12.0 tt0 -135.01 -37.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -134.53 19.79 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER 37.39 50.48 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.46 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 t80 -95.01 122.13 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -107.66 143.91 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.579 ' CD1' ' CD2' ' A' ' 32' ' ' HIS . 75.2 mt -151.97 178.04 9.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.577 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 17.1 m80 -95.71 149.67 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.705 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.12 -35.17 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -82.41 -38.96 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.446 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 45.5 m -60.78 -45.28 94.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' HB1' ' CG1' ' A' ' 30' ' ' VAL . . . -67.68 -41.0 84.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 27' ' ' PRO . 7.7 mt -66.28 -56.22 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -66.76 132.2 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -124.46 96.86 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 6.8 t0 -124.79 153.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 t -120.37 38.68 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -171.0 142.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -132.79 134.6 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.2 m -128.11 153.78 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.42 144.74 8.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -40.18 5.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.4 p -140.43 114.18 8.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.3 p -48.76 149.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.475 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.744 ' CD1' HG21 ' A' ' 59' ' ' ILE . 16.5 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.84 -43.11 13.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 16.9 tt0 -58.17 -31.26 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.69 -33.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.52 35.86 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' GLU . 12.3 mmtp -65.42 -41.14 93.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.72 -30.11 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.9 m0 -49.76 126.04 17.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.53 63.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -76.82 -35.03 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -123.8 120.16 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' HB1' ' A' ' 76' ' ' ALA . 14.5 p -109.66 149.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 36' ' ' GLU . 16.0 tptp -108.56 84.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 71' ' ' LEU . 17.7 t-80 -68.39 166.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -86.85 -46.71 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' N ' HG13 ' A' ' 33' ' ' VAL . 81.6 mt -63.96 -28.89 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 6.0 t60 -117.58 24.57 11.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.8 pt-20 -37.59 -39.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.9 mp0 -34.07 -49.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -138.92 161.61 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -94.41 115.6 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.806 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -53.74 165.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' LEU . 10.8 tt0 -127.91 103.88 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -36.64 102.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.6 m -111.71 135.5 52.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -64.79 123.25 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.49 134.33 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -64.53 -52.03 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG3' ' A' ' 56' ' ' GLU . 22.4 t -152.91 144.78 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.602 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 14.1 p90 -158.03 -175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -126.11 107.46 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 41.8 t -61.62 127.35 31.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.57 33.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 36.1 tttm -127.7 -59.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 32.0 p -103.53 -0.14 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 65.57 49.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.6 mm-40 -126.69 -173.33 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.8 tt0 -131.45 120.35 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.0 177.96 41.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 p -153.04 142.51 21.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.744 HG21 ' CD1' ' A' ' 19' ' ' TYR . 26.7 mm 48.76 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.682 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.4 m95 -177.89 129.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.9 t -170.88 122.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 25.5 m-85 -72.51 98.98 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 45.7 t-80 -103.83 149.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 13.9 t -117.52 121.66 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.45 33.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -134.79 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -127.15 -16.54 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 74.98 46.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 7.3 t80 -96.09 121.94 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 3.0 m-20 -105.35 142.52 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 32' ' ' HIS . 38.8 mt -147.88 178.31 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 6.8 m80 -93.84 151.62 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.615 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.23 -44.22 83.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 22.4 ptmt -75.94 -45.52 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 57.3 m -52.35 -47.26 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.854 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -65.05 -46.74 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.851 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.4 m-85 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.6 -44.49 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 24' ' ' LYS . 11.4 tm-20 -52.83 -35.33 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -73.36 -32.97 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.82 35.32 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 18.3 mmtt -66.83 -41.16 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.39 -29.74 16.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -51.5 126.69 30.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.538 0.685 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.503 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.76 161.32 46.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -80.52 -36.43 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -120.49 133.43 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.049 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -125.97 143.03 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' CA ' ' HG2' ' A' ' 39' ' ' GLU . 17.0 tptm -106.47 86.33 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 34' ' ' LEU . 5.8 t-80 -74.3 158.91 33.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -76.31 -44.61 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 32' ' ' HIS . 17.7 mt -63.88 -27.31 69.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -124.61 29.47 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -43.32 -37.11 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' GLU . 40.6 mm-40 -34.1 -50.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -137.2 164.84 27.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' CA ' ' A' ' 31' ' ' LYS . 29.9 mt-10 -97.42 112.99 24.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.8 171.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' LEU . 13.9 tt0 -135.53 100.79 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.586 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 16.2 tp -34.4 100.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -110.62 139.92 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -65.85 121.68 15.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' ILE . 46.9 t -140.42 135.75 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.63 -49.93 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.0 t -151.01 147.36 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 21.2 p90 -162.86 -175.06 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 m -128.43 105.33 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.8 t -62.93 136.01 57.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -100.81 33.54 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -127.02 -57.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.1 p -104.35 -3.02 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 65.0 mt-10 67.43 45.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 65.7 mm-40 -126.16 170.81 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.5 tt0 -115.27 120.39 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.93 176.82 38.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.603 ' HB ' HD12 ' A' ' 59' ' ' ILE . 80.5 p -152.5 141.5 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.851 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 54.3 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.712 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.74 132.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.6 t -177.71 119.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 31.5 m-85 -68.29 100.07 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t60 -104.65 152.81 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.7 t -123.83 119.94 31.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.17 37.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.05 -36.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 m -128.42 -6.14 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.524 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.7 m-20 67.12 54.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.2 t80 -95.44 172.86 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -159.82 131.79 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.2 mt -142.95 177.96 8.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.0 m80 -94.1 154.95 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.1 -42.2 94.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -77.09 -44.8 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 44.5 m -52.35 -47.65 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 1.049 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -67.72 -53.42 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.503 HD21 ' CD ' ' A' ' 27' ' ' PRO . 5.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.793 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.86 -38.17 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' CD ' ' A' ' 24' ' ' LYS . 34.5 tt0 -65.78 -35.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.14 -32.86 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.93 32.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 10.8 mtpp -60.64 -43.38 97.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.71 -29.52 18.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -51.13 124.44 22.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.563 0.697 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.79 145.71 57.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.41 -38.05 73.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HE3' ' CG ' ' A' ' 41' ' ' GLU . 13.7 mttt -129.99 139.66 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.029 HG11 ' HB1' ' A' ' 76' ' ' ALA . 11.7 p -118.82 155.0 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -108.04 76.42 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.74 ' CD2' HD13 ' A' ' 71' ' ' LEU . 25.4 t-80 -62.09 157.71 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.9 p -81.24 -47.22 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.69 HD12 ' HE1' ' A' ' 32' ' ' HIS . 29.4 mt -62.71 -24.09 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.1 t60 -120.32 25.64 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.0 pt-20 -37.76 -32.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -38.97 -52.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' ND1' ' OE1' ' A' ' 66' ' ' GLU . 1.1 m80 -141.6 160.44 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.9 110.97 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.842 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.1 mm? -50.73 158.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CG ' ' HE3' ' A' ' 29' ' ' LYS . 14.7 tt0 -116.78 113.91 23.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.579 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 18.6 tp -48.24 99.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.5 m -107.31 137.68 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 3.6 mmm180 -69.91 110.21 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.63 136.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.78 -47.43 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 56' ' ' GLU . 13.5 t -152.08 145.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.1 p90 -161.45 -175.06 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 m -128.33 108.19 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.98 130.12 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -95.97 32.44 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 26.0 tttm -124.06 -49.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.8 p -116.5 1.78 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 63.18 48.2 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -128.72 165.95 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -111.87 119.53 38.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -89.08 -177.96 46.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.9 p -157.42 144.11 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 19' ' ' TYR . 36.2 mm 50.65 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.86 134.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.0 t -177.15 116.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.707 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 41.1 m-85 -65.3 99.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 31.7 t-80 -103.16 146.45 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.49 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.0 t -118.74 116.66 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.81 35.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' ' ND1' ' A' ' 38' ' ' HIS . 16.6 tt0 -135.06 -35.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.55 -5.1 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 64.39 48.27 2.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.9 t80 -97.94 126.0 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.04 144.88 39.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.4 mt -150.99 177.35 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -93.89 156.38 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.24 -41.06 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 18.5 ptpt -78.41 -42.45 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.0 m -55.29 -49.85 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 1.029 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -65.53 -43.83 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.52 HD21 ' HD2' ' A' ' 27' ' ' PRO . 17.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.927 0.394 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -46.43 -39.94 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.8 mt -77.94 -33.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.16 35.55 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -62.56 -46.52 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.8 -28.97 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.693 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 22.0 m0 -46.72 127.79 8.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.594 ' CD ' HD21 ' A' ' 77' ' ' LEU . 54.0 Cg_endo -69.76 167.61 23.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.272 . . . . 0.0 112.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -90.76 -34.58 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -125.92 127.01 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.1 p -125.57 142.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -100.06 96.53 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.99 ' CD2' HD13 ' A' ' 71' ' ' LEU . 9.3 t-80 -78.26 147.34 34.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -62.31 -49.91 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.1 mt -61.48 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.0 t60 -119.33 23.78 11.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' HIS . 8.8 pt-20 -34.99 -36.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' HIS . 32.4 mm-40 -40.63 -52.64 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -136.85 168.15 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -102.13 117.38 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -52.55 171.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.3 tt0 -133.31 106.54 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 17.1 tp -35.42 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.0 m -106.88 139.63 40.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -72.49 129.95 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.4 t -149.59 136.84 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.8 -51.68 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.6 t -151.6 147.88 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.6 p90 -162.58 -175.18 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -127.51 104.77 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.2 t -58.92 141.21 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.09 30.56 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -125.91 -53.67 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.0 p -106.77 -4.96 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 3.2 mp0 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 11.5 mm-40 -127.54 -174.02 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.6 tt0 -127.64 119.45 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -88.32 179.91 46.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.42 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' GLY . 23.2 p -157.22 140.5 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.772 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 51.73 25.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.701 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.6 m95 -178.5 136.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.672 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.8 p -177.26 119.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 27.8 m-85 -74.02 98.99 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 2.0 t-80 -108.66 155.07 21.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 20.0 t -118.37 120.77 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 23.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -128.5 -30.51 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASP . 3.5 m -133.05 22.36 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' CYS . 2.5 m-20 35.43 54.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.3 t80 -93.9 171.88 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -161.06 132.86 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.99 HD13 ' CD2' ' A' ' 32' ' ' HIS . 69.9 mt -147.09 178.44 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.5 m80 -91.46 147.12 23.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.693 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -55.75 -38.6 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 32.7 m -53.73 -48.68 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.913 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.594 HD21 ' CD ' ' A' ' 27' ' ' PRO . 16.4 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.795 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -49.71 -36.51 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.0 tt0 -61.98 -27.25 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.97 -31.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.78 34.27 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 29.9 mtmt -61.72 -42.89 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -89.61 -30.22 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.658 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -50.17 122.91 15.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.77 158.25 57.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.63 -35.32 45.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -123.29 118.69 28.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 76' ' ' ALA . 10.5 p -118.2 143.52 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 11.0 tttp -101.48 89.09 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.642 ' HE1' HD12 ' A' ' 34' ' ' LEU . 32.1 t-80 -68.61 162.36 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -79.75 -48.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.642 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.2 mt -63.19 -24.62 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 9.0 t60 -121.19 24.51 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -36.07 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.0 mp0 -33.68 -52.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -138.79 170.9 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 31' ' ' LYS . 22.0 mt-10 -99.99 117.13 33.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.784 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -55.19 166.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 24.3 tt0 -128.42 99.89 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.9 tp -35.2 98.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 m -109.46 139.2 44.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -68.05 126.79 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.84 135.08 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.84 -51.65 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 21.1 t -152.5 148.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 19.9 p90 -160.28 179.02 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -125.0 110.77 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 36.1 t -68.7 134.61 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' OD1' ' CE1' ' A' ' 69' ' ' PHE . 6.1 p-10 -96.66 22.91 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 70.2 tttt -116.43 -64.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 25.8 p -96.85 -0.71 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.88 39.42 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 70.5 mm-40 -121.43 166.52 13.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.9 tt0 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.17 -176.22 42.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 57' ' ' GLY . 33.2 p -160.16 142.8 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.165 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.795 HG21 ' CD1' ' A' ' 19' ' ' TYR . 31.8 mm 52.76 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.23 130.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -172.4 111.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.4 m-85 -64.14 99.48 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 25.1 t-80 -104.31 149.81 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.479 ' HB2' HD12 ' A' ' 40' ' ' LEU . 38.9 t -112.82 123.49 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.78 28.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 64' ' ' CYS . 26.0 tt0 -133.24 -50.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.9 m -111.54 -15.71 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' CYS . 6.3 m-20 70.96 47.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.556 ' HE2' HD11 ' A' ' 71' ' ' LEU . 11.2 t80 -95.59 121.81 37.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -104.01 148.21 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -154.62 178.77 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 11.7 m80 -92.97 152.52 19.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.658 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.48 -44.4 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -75.18 -37.44 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.8 m -59.48 -47.55 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -63.02 -44.28 96.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HD2' ' A' ' 27' ' ' PRO . 34.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.887 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -48.61 -37.32 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.06 -29.26 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.19 -32.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.13 34.78 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -66.46 -40.91 89.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.5 -29.07 16.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.4 m0 -48.08 125.23 11.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.67 69.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.03 -32.65 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -124.37 122.43 37.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.846 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.6 p -117.94 140.47 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -103.09 84.59 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.1 t-80 -69.29 155.5 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -71.88 -49.6 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.2 mt -61.4 -25.8 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 5.9 t60 -120.66 23.35 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLU . 12.4 pt-20 -38.21 -39.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' GLU . 6.4 mp0 -34.67 -46.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 3.7 m80 -142.45 163.55 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -95.17 117.5 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.76 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -55.59 168.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.7 tt0 -131.74 102.5 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -33.33 101.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.4 m -109.05 138.77 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.2 mmm180 -74.55 123.12 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.9 t -142.58 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.08 -50.7 67.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 56' ' ' GLU . 9.0 t -153.1 147.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.7 p90 -162.55 -175.13 4.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.3 m -127.49 109.74 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 44.2 t -63.43 149.35 46.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.2 23.98 13.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 17.3 tttm -122.07 -54.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.7 p -103.49 -2.57 26.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 64.81 31.16 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -110.89 -174.81 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' HG13 ' A' ' 47' ' ' VAL . 6.0 tt0 -125.06 126.19 44.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.79 -179.31 40.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.6 p -157.57 141.93 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.288 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.887 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.4 mm 50.94 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.718 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.8 m95 -178.46 136.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.681 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.6 p -175.73 118.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 26.7 m-85 -70.63 98.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 17.6 t-80 -103.32 149.29 24.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 12.8 t -115.24 118.77 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.29 33.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' CYS . 10.4 tt0 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.28 -16.54 6.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 t0 74.99 47.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.52 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.3 t80 -97.93 122.26 40.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.51 146.47 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 32' ' ' HIS . 34.6 mt -150.81 178.46 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 9.8 m80 -97.22 152.87 18.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.4 -45.75 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -74.18 -43.64 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.416 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 35.8 m -53.52 -48.6 68.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.846 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -68.6 -40.35 80.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' HG21 ' A' ' 59' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.65 -37.48 5.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 29.6 tt0 -53.31 -35.82 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mt -75.44 -29.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.31 34.06 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.3 mttt -64.27 -41.31 96.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -91.7 -29.61 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 20.1 m0 -52.26 124.99 32.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.536 0.684 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.615 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.71 170.31 16.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.266 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -86.78 -36.91 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -121.88 120.37 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 ' HB1' ' A' ' 76' ' ' ALA . 12.2 p -110.62 149.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -109.15 97.43 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CD2' HD13 ' A' ' 71' ' ' LEU . 11.5 t-80 -87.82 159.22 18.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -76.97 -45.51 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 33' ' ' VAL . 84.7 mt -62.82 -28.09 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' NE2' ' SG ' ' A' ' 67' ' ' CYS . 5.3 t60 -121.95 28.05 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.1 pt-20 -39.96 -38.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -32.95 -53.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -136.56 169.95 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 26.1 mt-10 -100.75 109.76 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -45.43 171.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 42' ' ' LEU . 16.3 tt0 -134.31 101.44 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.9 tp -33.28 97.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' GLU . 23.2 m -108.82 135.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -63.62 133.53 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -151.26 132.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.4 tt0 -64.26 -50.67 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 56' ' ' GLU . 24.2 t -155.0 144.85 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.8 p90 -157.12 -175.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -126.88 106.5 9.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 33.1 t -60.69 122.56 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.35 27.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -121.51 -64.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.3 p -98.49 1.34 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 64.24 45.76 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 59.3 mm-40 -120.58 -173.17 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.2 tt0 -132.77 117.78 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.85 -179.44 47.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLY . 29.2 p -156.24 137.88 14.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.752 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.3 mm 54.0 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.5 m95 -178.63 133.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.635 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 15.0 t -176.95 113.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 36.2 m-85 -64.27 99.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 47.4 t60 -106.55 149.28 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 65' ' ' ASP . 24.2 t -128.67 74.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -25.0 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 tp10 -39.91 -53.0 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 m -114.57 -2.86 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.1 m-20 62.17 55.05 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.0 t80 -95.59 174.64 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -162.31 128.92 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.0 mt -141.31 178.16 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 4.8 m80 -92.71 150.48 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.605 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.88 -38.82 86.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -80.42 -35.91 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 56.2 m -63.56 -53.11 56.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -57.1 -45.61 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.615 HD21 ' CD ' ' A' ' 27' ' ' PRO . 26.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.697 ' CD1' HG21 ' A' ' 59' ' ' ILE . 10.0 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' LYS . 77.6 m-20 -48.02 -44.96 31.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' NZ ' ' A' ' 24' ' ' LYS . 20.2 tt0 -59.75 -24.28 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.9 -30.52 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -119.54 28.38 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.2 ptpp? -70.82 -26.85 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -96.26 -30.65 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 26' ' ' TRP . 7.4 m0 -58.74 130.33 85.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.563 0.697 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.88 55.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.07 77.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 40' ' ' LEU . 14.9 mmmt -125.29 119.17 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.017 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.5 p -116.29 144.48 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -100.19 77.14 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.798 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.1 t-80 -58.94 159.38 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -78.66 -49.23 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HE1' ' A' ' 32' ' ' HIS . 67.4 mt -63.08 -17.16 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.5 t60 -131.96 28.19 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -41.45 -37.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLU . 24.0 mp0 -34.13 -49.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -138.39 169.4 17.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 28.1 mt-10 -100.53 114.15 27.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.08 171.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 11.1 tt0 -135.32 102.6 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.553 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -33.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -109.72 133.25 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -69.04 125.12 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 95.7 t -143.08 136.33 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 58' ' ' THR . 48.6 tp60 -64.5 -50.44 67.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.7 t -154.6 145.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.1 p90 -159.55 -174.96 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 m -129.39 110.93 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 49.0 t -66.82 147.86 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -107.64 25.56 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 66.1 tttt -120.71 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 18.7 p -97.55 -3.49 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 66.09 39.98 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 13.0 mm-40 -119.71 178.57 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.5 tt0 -119.79 122.73 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.22 171.22 33.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 46' ' ' GLN . 5.4 p -149.04 145.35 27.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.73 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 37.7 mm 50.74 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.73 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.3 m95 -178.62 138.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.654 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 9.7 p -177.53 117.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 35.0 m-85 -72.89 98.38 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 14.2 t-80 -103.94 151.0 23.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 38.1 t -112.41 123.94 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.7 28.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' CYS . 4.5 tp10 -134.92 -52.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -108.6 -17.24 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 0.9 OUTLIER 71.21 50.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 71' ' ' LEU . 18.9 t80 -100.72 122.75 43.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.24 150.98 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.5 mt -154.72 178.62 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.0 m80 -95.51 155.58 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.14 -45.18 79.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -75.15 -38.81 60.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.5 m -59.2 -45.05 92.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 1.017 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.01 -43.16 79.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.751 ' CD1' HG21 ' A' ' 59' ' ' ILE . 15.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.59 -38.7 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 8.3 tp10 -59.17 -30.84 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.59 -32.85 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.4 35.56 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 22.9 mttt -61.76 -44.67 96.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.23 -29.84 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.68 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.0 m0 -47.52 124.58 9.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.83 165.0 32.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -87.25 -35.65 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -118.95 129.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 ' HB1' ' A' ' 76' ' ' ALA . 11.6 p -122.07 144.5 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.69 83.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.489 ' CE1' HD12 ' A' ' 34' ' ' LEU . 3.0 t-80 -72.86 161.75 30.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.5 p -81.58 -41.32 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' CE1' ' A' ' 32' ' ' HIS . 26.4 mt -63.87 -27.53 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.5 t60 -120.81 25.74 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 2.4 pp20? -35.14 -40.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' GLU . 31.2 mm-40 -31.61 -51.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -139.37 -179.46 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.22 116.59 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -59.49 165.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -128.18 125.81 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.8 tp -52.04 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -101.42 136.67 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.74 128.93 37.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -149.01 139.13 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 58' ' ' THR . 32.2 tt0 -69.68 -49.55 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 56' ' ' GLU . 7.2 t -151.48 148.73 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 31.6 p90 -165.07 -175.16 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -128.34 106.67 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.1 t -60.86 151.22 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -109.91 27.75 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HD2' ' HE2' ' A' ' 32' ' ' HIS . 29.6 tttp -126.46 -55.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.2 p -100.84 -4.68 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 66.07 30.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -111.14 -177.67 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HG3' HG13 ' A' ' 47' ' ' VAL . 9.0 tt0 -122.48 121.19 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.775 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.6 -170.54 46.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.514 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 57' ' ' GLY . 16.2 p -166.52 142.37 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 19' ' ' TYR . 27.5 mm 49.83 25.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.716 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.03 137.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 31.4 p -178.07 120.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 36.7 m-85 -74.45 98.54 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.453 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 6.3 t-80 -107.23 151.98 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.572 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.4 t -117.75 118.55 32.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.89 35.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.0 tp10 -135.0 -36.43 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 3.2 m -125.59 -6.61 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' CYS . 39.8 t0 66.69 54.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 1.9 t80 -95.49 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.58 125.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.6 mt -135.6 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.3 m80 -95.67 148.72 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.68 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -52.22 -39.55 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -79.94 -42.05 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.3 m -54.71 -43.1 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.855 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -69.04 -43.36 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 27' ' ' PRO . 17.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 17.0 m-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -44.81 -39.86 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.05 -36.78 70.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -72.7 -35.81 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.98 25.04 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.3 ptpt -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 24.9 t0 -86.06 -31.73 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -53.66 128.28 52.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 149.08 66.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.06 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 9.1 mmtp -124.96 121.97 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.821 HG21 ' HB1' ' A' ' 76' ' ' ALA . 13.8 p -116.51 146.92 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 38.4 tttm -108.17 104.24 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.803 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.3 t-80 -89.59 157.42 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.2 p -70.99 -49.48 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 24.1 mt -61.13 -28.08 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' ' HG ' ' A' ' 67' ' ' CYS . 7.4 t60 -119.33 25.42 10.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -38.66 -39.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -37.45 -48.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -140.87 164.33 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 1.5 mp0 -97.42 131.08 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.641 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.9 mm? -66.56 168.69 8.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -132.26 115.19 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 12.8 tp -40.18 103.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.2 m -111.62 135.78 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' NH1' HG23 ' A' ' 59' ' ' ILE . 5.8 mmm180 -68.89 122.55 18.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 11.5 t -143.1 145.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -77.15 -49.17 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.2 t -154.47 149.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 57' ' ' GLY . 36.3 p90 -161.29 -175.06 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -128.37 104.51 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.0 t -59.05 124.22 19.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -91.56 29.08 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -122.9 -54.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.4 p -107.06 -2.17 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 67.1 47.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 25.8 mm-40 -126.52 -173.61 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.2 tt0 -131.11 117.95 19.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.03 178.89 49.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.3 p -159.95 137.36 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.794 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 42.0 mm 60.84 24.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.794 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.3 m95 175.53 139.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -173.77 120.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 23.0 m-85 -78.12 99.81 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -112.61 151.03 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.431 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 6.3 t -107.26 126.01 51.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -81.61 34.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -134.86 -36.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.466 ' HG ' ' CE1' ' A' ' 35' ' ' HIS . 3.2 m -122.07 -15.58 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' ' NE2' ' A' ' 63' ' ' HIS . 5.2 t70 75.01 54.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HE2' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -94.94 171.92 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 m-20 -153.86 137.42 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 32' ' ' HIS . 76.8 mt -153.16 177.87 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.2 m80 -92.22 155.58 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.64 -38.74 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -80.56 -38.5 29.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.5 m -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.821 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -64.49 -41.47 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 59' ' ' ILE . 13.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -46.25 -37.74 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.29 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.28 -34.89 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.64 31.19 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.86 -30.68 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.3 m0 -56.13 125.06 62.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 77' ' ' LEU . 54.3 Cg_endo -69.66 150.49 68.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.362 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -70.04 -36.68 75.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 15.2 mmtt -126.19 118.43 25.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.7 p -112.63 154.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 30' ' ' VAL . 3.1 tppp? -110.09 83.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.5 t-80 -62.83 154.61 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -75.38 -48.94 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.7 mt -62.86 -23.04 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 8.6 t60 -121.98 26.51 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -38.53 -37.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.7 mm-40 -35.46 -49.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -139.65 175.49 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -104.77 125.51 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -63.45 168.13 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LEU . 8.9 tt0 -132.46 103.21 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 14.2 tp -35.39 101.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 m -109.19 143.57 38.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.5 mmm180 -78.29 124.03 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 85.7 t -143.8 135.7 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -63.08 -52.0 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.4 t -153.56 146.36 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 16.8 p90 -158.78 -175.01 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -128.63 106.43 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.0 t -59.55 131.85 52.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -96.94 28.69 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -123.63 -57.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -104.14 -1.75 26.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 65.83 51.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 18.5 mm-40 -127.31 -173.35 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 47' ' ' VAL . 16.4 tt0 -132.09 115.56 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -87.1 179.28 48.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -155.07 145.65 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.685 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.1 mm 48.51 24.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.8 m95 -178.7 138.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.659 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.1 p -176.6 117.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 40' ' ' LEU . 15.8 m-85 -70.16 99.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 12.7 t-80 -104.66 151.06 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.53 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.8 t -119.42 122.44 41.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.17 30.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.6 tp10 -134.97 -36.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -135.01 19.87 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' CYS . 7.4 p-10 35.57 52.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 7.6 t80 -97.95 115.44 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 2.8 m-20 -102.27 143.24 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.818 HD13 ' CD2' ' A' ' 32' ' ' HIS . 46.9 mt -149.75 177.92 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.7 m80 -92.2 141.81 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.691 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.8 -39.14 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -79.19 -39.76 32.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 16.6 m -57.25 -49.31 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.37 -41.99 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 73' ' ' ALA . 6.5 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.742 ' CD1' HG21 ' A' ' 59' ' ' ILE . 18.4 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -48.58 -38.26 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 57.2 tt0 -57.26 -31.24 65.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.52 -30.49 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.82 34.04 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 24.1 mttm -60.06 -45.79 91.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.41 -29.52 19.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -48.56 123.97 11.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.894 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 165.12 32.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.04 -35.61 20.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 12.3 mmtm -123.25 118.8 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.8 p -122.99 144.53 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -105.04 103.13 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.2 t-80 -79.85 159.34 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 34' ' ' LEU . 6.3 p -70.26 -49.46 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' N ' HG13 ' A' ' 33' ' ' VAL . 88.8 mt -63.98 -23.45 67.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 7.6 t60 -123.54 22.94 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' HIS . 17.3 pt-20 -38.91 -33.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -39.12 -51.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -134.8 171.61 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.42 124.29 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.759 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -61.07 169.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.6 tt0 -132.96 95.68 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.7 tp -32.34 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.6 m -113.34 139.59 48.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.8 mmm180 -71.08 127.22 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 t -143.47 143.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.1 tp60 -69.68 -49.2 55.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 46' ' ' GLN . 16.0 t -156.34 145.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' ' OG ' ' A' ' 61' ' ' SER . 27.9 p90 -157.45 -174.98 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.3 m -129.96 114.62 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 38.5 t -73.19 129.53 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.8 25.18 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 46.8 tttm -118.58 -67.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 24.6 p -95.32 5.0 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 58.22 40.05 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -120.95 169.13 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.3 tt0 -113.86 125.69 54.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' THR . . . -93.48 -177.71 39.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 57' ' ' GLY . 18.2 p -160.84 140.48 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.697 0.284 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 57.06 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.735 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 178.09 132.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -171.95 116.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.673 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 28.0 m-85 -72.88 99.43 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 2.0 t-80 -105.46 152.25 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 66' ' ' GLU . 27.3 t -110.23 128.55 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 17.9 t0 -81.51 30.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.94 -53.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.3 m -107.98 -18.57 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t0 75.0 45.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 71' ' ' LEU . 22.0 t80 -95.16 121.88 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.08 153.74 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.6 mt -158.57 178.85 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 14.7 m80 -94.86 155.49 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.593 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.58 -45.49 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.54 -36.6 65.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 55.3 m -63.33 -43.84 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.637 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.58 -41.62 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.894 HD21 ' HD2' ' A' ' 27' ' ' PRO . 80.3 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.694 ' CD1' HG21 ' A' ' 59' ' ' ILE . 24.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' LYS . 30.9 m-20 -44.25 -43.52 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.77 -37.69 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.422 HG22 ' CH2' ' A' ' 26' ' ' TRP . 65.0 mt -71.63 -32.09 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.18 26.48 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASP . 13.7 ptpt -64.36 -34.51 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.51 -30.46 13.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.542 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.9 m0 -53.54 126.38 47.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.571 0.701 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.76 63.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -69.7 -36.32 75.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -123.87 119.68 30.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.826 HG11 ' HB1' ' A' ' 76' ' ' ALA . 14.8 p -115.73 149.69 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -104.58 81.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.3 t-80 -62.89 151.55 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.39 -49.07 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.584 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.4 mt -61.89 -26.52 68.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.9 t60 -119.28 27.41 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.3 pt-20 -37.82 -38.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 43.2 mp0 -34.96 -51.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.27 174.17 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 31.7 mt-10 -106.92 117.36 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.2 mm? -57.46 167.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' LEU . 38.4 tt0 -130.18 108.64 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 13.8 tp -37.33 103.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.5 m -111.43 142.74 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.4 mmm180 -76.76 125.5 29.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.94 137.94 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.21 -51.5 57.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.0 t -151.45 148.13 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.677 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 25.3 p90 -162.14 -175.06 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.8 m -127.47 108.92 11.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.04 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -107.08 31.73 5.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 21.5 tttm -126.51 -56.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -105.83 -4.1 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 42.5 mt-10 69.08 43.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.52 167.4 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG3' HG13 ' A' ' 47' ' ' VAL . 7.7 tt0 -109.35 127.22 54.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -95.72 -178.17 36.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 57' ' ' GLY . 28.1 p -158.5 143.91 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 35.2 mm 50.92 24.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.1 m95 -179.28 137.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.677 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.5 p -177.7 116.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.2 m-85 -69.51 98.42 1.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 17.2 t-80 -103.12 144.64 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.521 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 t -112.64 121.07 43.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.54 30.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' CYS . 9.8 tt0 -134.97 -35.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.8 m -134.97 19.55 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 67' ' ' CYS . 25.4 t0 36.86 49.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 10.1 t80 -96.49 118.55 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -103.28 149.24 24.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 32' ' ' HIS . 39.1 mt -153.17 178.59 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -94.22 156.99 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.07 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -76.85 -41.9 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.41 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 41.5 m -54.52 -49.08 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.826 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.63 -46.59 81.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.721 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.9 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -41.11 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 18.8 tt0 -56.59 -36.13 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.78 -33.37 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.72 34.93 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 8.3 mtpp -63.44 -46.11 87.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.0 -29.78 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.545 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 13.9 m0 -53.16 124.81 39.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.531 0.681 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.96 36.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -82.83 -35.69 26.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -126.08 118.2 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.844 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.9 p -116.21 143.5 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -102.26 87.36 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.856 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.9 t-80 -66.25 150.27 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.583 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -69.8 -49.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD12 ' HE1' ' A' ' 32' ' ' HIS . 33.2 mt -63.32 -18.67 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 8.5 t60 -130.7 25.14 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' HIS . 15.0 pt-20 -39.76 -36.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mp0 -33.52 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 8.1 m80 -141.77 164.95 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 47.0 mt-10 -99.07 114.35 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 64' ' ' CYS . 3.0 mm? -52.06 171.69 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' LEU . 9.4 tt0 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.6 tp -26.84 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -109.48 140.21 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -73.55 128.47 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 69.9 t -147.65 141.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -71.04 -50.27 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 56' ' ' GLU . 11.8 t -153.16 147.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 26.6 p90 -162.58 -175.04 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -127.44 108.75 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.1 t -63.43 123.52 18.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -87.36 32.27 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.597 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.6 ttpt -126.41 -64.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -98.21 1.77 47.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 62.95 49.44 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.49 -173.09 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -131.58 119.48 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -90.57 179.21 43.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.4 p -155.52 142.83 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 21.7 mm 51.44 25.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.732 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 6.3 m95 -179.5 136.9 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.9 p -174.6 126.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 24.7 m-85 -79.34 97.88 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.497 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 19.0 t-80 -102.85 154.08 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.3 t -121.45 119.43 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 16.6 t0 -77.89 33.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' CYS . 19.1 tt0 -134.84 -37.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.72 -6.06 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 16.6 t70 63.82 54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 9.3 t80 -105.03 118.43 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 15.1 m-20 -102.37 145.45 29.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -149.55 178.48 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.3 m80 -93.04 150.62 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.74 -41.19 81.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -78.55 -40.57 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 28.4 m -55.92 -47.4 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.844 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.23 -41.53 85.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CG ' HG21 ' A' ' 59' ' ' ILE . 21.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -48.47 -35.22 12.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 22.3 tp10 -58.32 -31.71 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.27 -31.52 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.2 30.13 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.6 mttm -62.07 -46.81 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.31 -26.69 24.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.585 ' CZ3' ' HB1' ' A' ' 73' ' ' ALA . 25.0 m0 -57.04 125.97 71.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.77 7.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -92.24 -36.1 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -122.16 128.49 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.924 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -126.32 143.68 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -107.19 104.25 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLU . 21.9 t-80 -90.74 143.52 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -51.42 -49.92 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 33' ' ' VAL . 53.6 mt -62.35 -23.34 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -120.46 24.94 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 13.0 pt-20 -40.23 -35.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -40.62 -51.28 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -137.12 -175.81 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -113.71 114.89 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.04 172.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 18.2 tt0 -134.85 103.95 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD13 ' CE2' ' A' ' 62' ' ' TYR . 17.6 tp -34.16 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 21.9 m -103.26 138.79 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -74.05 130.46 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 81.9 t -150.45 137.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -67.57 -49.13 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.13 146.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.673 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 28.3 p90 -161.41 -175.27 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -126.83 106.29 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.7 t -60.25 130.18 45.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.49 30.08 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 29.6 tttt -124.05 -61.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.4 p -101.39 -0.15 35.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 60.7 mt-10 65.09 50.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 19.7 mm-40 -126.96 -172.99 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.95 118.03 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' THR . . . -88.73 -178.06 46.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.7 p -158.98 139.56 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 111.141 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.707 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.6 mm 54.39 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.707 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.66 137.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.673 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.5 p -177.53 116.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.792 ' CE2' HD13 ' A' ' 42' ' ' LEU . 35.0 m-85 -73.34 98.43 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.3 OUTLIER -110.32 158.0 18.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.668 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 41.7 t -119.14 115.04 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -66.81 4.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.9 tt0 -112.32 -27.32 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASP . 21.7 m -130.96 18.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.623 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 m-20 34.29 54.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.5 t80 -94.19 172.16 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -159.72 121.29 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 52' ' ' LYS . 13.5 mt -135.11 177.74 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 3.5 m80 -91.92 150.01 21.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.585 ' HB1' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.24 -36.08 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 7.5 ptmt -84.81 -43.69 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.422 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 98.3 m -57.67 -51.84 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.924 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -54.63 -51.66 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.5 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -48.14 -34.08 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 12.7 tt0 -70.14 -29.56 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.0 mt -75.5 -33.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -101.22 31.73 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 21.0 mttt -60.49 -42.88 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -88.62 -27.23 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.1 m0 -57.97 124.88 71.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.79 178.01 5.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.1 -32.22 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -127.98 119.19 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.885 HG11 ' HB1' ' A' ' 76' ' ' ALA . 8.4 p -111.87 151.44 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -109.03 89.71 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.868 ' CD2' HD13 ' A' ' 71' ' ' LEU . 15.5 t-80 -72.62 155.45 40.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.78 -50.37 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 33' ' ' VAL . 22.6 mt -63.88 -24.79 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.8 t60 -122.38 27.98 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.68 -37.07 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 4.6 tt0 -37.32 -35.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -147.28 173.04 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -57.37 174.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.8 tt0 -135.07 103.98 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 17.1 tp -33.81 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.4 m -102.48 141.54 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -74.88 132.43 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.0 t -153.03 138.62 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.73 -49.68 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.7 t -152.15 147.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 27.4 p90 -163.33 -175.12 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -127.44 107.26 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.0 t -62.19 147.11 48.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.16 30.42 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 11.7 tttp -126.81 -55.09 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 27.2 p -106.32 -1.25 23.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 45.9 mt-10 64.88 42.56 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 31.8 mm-40 -121.66 174.65 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.6 tt0 -117.43 122.86 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.88 177.51 38.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -155.1 140.4 17.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 53.86 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.683 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 -178.71 135.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.661 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.0 p -177.65 118.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.6 m-85 -70.96 99.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.425 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 34.3 t-80 -102.91 149.61 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 40' ' ' LEU . 15.8 t -115.83 123.8 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.34 32.84 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -135.01 -38.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 1.4 m -127.13 -16.69 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.97 48.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.2 t80 -95.91 118.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -104.55 140.21 38.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.868 HD13 ' CD2' ' A' ' 32' ' ' HIS . 72.4 mt -146.45 178.09 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.3 m80 -93.74 154.56 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -58.97 -37.65 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 10.3 ptpp? -81.19 -41.29 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.8 m -56.55 -43.55 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.885 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.69 -52.72 41.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.851 HD21 ' HD2' ' A' ' 27' ' ' PRO . 48.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CG ' HG21 ' A' ' 59' ' ' ILE . 12.0 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -46.04 -38.05 7.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 30.2 tt0 -62.62 -32.9 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.7 mt -71.77 -30.87 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.59 33.77 3.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' GLU . 7.0 mtpp -61.8 -44.09 97.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -88.64 -30.88 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -48.96 124.4 12.9 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 162.25 42.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -82.42 -35.76 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.8 mmmm -125.12 118.5 26.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -117.39 149.04 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -110.18 97.14 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 71' ' ' LEU . 27.5 t-80 -76.68 161.23 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.5 p -74.8 -50.34 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.3 mt -61.49 -26.7 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 5.7 t60 -120.6 26.6 9.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -40.8 -38.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.9 mm-40 -33.39 -48.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -140.95 173.89 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -103.51 132.61 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? -71.3 168.14 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.2 tt0 -130.4 105.29 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.678 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.2 tp -36.67 101.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 m -112.74 136.26 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -70.45 128.91 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.97 139.17 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 47' ' ' VAL . 7.6 tp60 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLN . 12.4 t -156.67 148.29 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -159.02 -175.07 5.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -129.52 106.36 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.8 t -62.76 122.87 16.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.16 30.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 33.3 tttt -121.87 -58.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -106.2 2.15 26.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 39.0 mt-10 64.03 47.78 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.4 mm-40 -128.25 171.13 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.8 tt0 -117.58 123.24 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.81 -177.67 40.96 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.4 p -160.27 138.9 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.725 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.1 mm 57.7 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.725 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.91 134.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -171.99 117.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.678 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 25.6 m-85 -75.32 100.45 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 1.5 t-80 -104.43 151.33 23.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.8 t -113.37 125.14 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -80.89 32.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -134.88 -38.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 1.8 m -128.65 -7.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 67' ' ' CYS . 1.4 m-20 64.74 46.9 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 10.5 t80 -95.29 122.58 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.21 151.47 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' A' ' 32' ' ' HIS . 17.9 mt -156.38 178.22 10.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -95.06 150.63 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -54.9 -40.65 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 12.3 ptpt -79.93 -37.39 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 56.6 m -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.966 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.14 -45.61 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 17.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.44 -38.71 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.8 tt0 -58.61 -32.45 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.6 mt -77.16 -33.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -104.62 36.2 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 6.8 mtmp? -64.41 -43.87 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -90.64 -29.5 17.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.535 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 17.2 m0 -50.21 124.12 17.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.569 0.7 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.525 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.75 177.02 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -94.87 -35.97 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.37 127.69 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.3 p -123.09 143.69 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 83.94 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.875 ' CD2' HD13 ' A' ' 71' ' ' LEU . 19.5 t-80 -67.19 148.95 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 34' ' ' LEU . 2.7 p -69.36 -47.74 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD12 ' HE1' ' A' ' 32' ' ' HIS . 76.1 mt -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 7.7 t60 -118.8 25.56 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.4 pt-20 -36.48 -38.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -34.12 -55.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -134.66 179.61 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 18.3 mt-10 -110.86 115.33 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.3 mm? -54.41 170.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.03 106.04 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 62' ' ' TYR . 15.1 tp -40.03 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 m -110.1 139.99 44.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 4.1 mmm180 -66.77 117.4 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.16 132.56 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -63.79 -54.97 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 23.8 t -149.66 146.79 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.646 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.6 p90 -160.37 -178.29 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -123.48 105.31 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 42.6 t -60.87 119.73 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 16.0 t0 -86.68 31.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -124.09 -56.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.2 p -107.84 2.26 23.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 15.9 mm-40 64.13 47.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 40.6 mm-40 -125.01 -174.01 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.5 tt0 -131.23 119.12 21.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 58' ' ' THR . . . -87.45 -173.75 48.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.6 p -161.97 144.4 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 30.6 mm 46.32 24.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.684 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.0 m95 -178.71 131.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.646 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 8.5 t -174.67 120.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 42' ' ' LEU . 23.9 m-85 -70.46 98.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.0 t60 -101.69 142.43 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.566 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.7 t -112.1 120.66 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.06 30.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 64' ' ' CYS . 1.3 tp10 -134.99 -34.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -135.02 21.97 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.522 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 13.0 m-20 35.43 46.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 8.4 t80 -94.86 126.75 40.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -112.85 149.81 32.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.875 HD13 ' CD2' ' A' ' 32' ' ' HIS . 47.0 mt -152.95 177.77 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -94.15 149.69 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.66 -42.9 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.48 -39.47 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.3 m -58.95 -46.55 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.17 -46.13 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 27' ' ' PRO . 14.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' HG21 ' A' ' 59' ' ' ILE . 9.0 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.39 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.07 -35.42 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.2 tp10 -67.17 -22.97 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.44 -28.77 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -106.68 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 32.8 mttt -62.52 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.64 -30.35 19.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.62 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.7 m0 -49.04 126.32 14.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 154.04 68.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -77.23 -34.16 56.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.37 120.62 30.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -113.58 140.41 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -96.71 86.64 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.986 ' CD2' HD13 ' A' ' 71' ' ' LEU . 8.7 t-80 -73.6 141.69 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -61.17 -47.44 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 33' ' ' VAL . 33.3 mt -62.01 -27.05 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.6 t60 -116.88 23.48 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.7 tt0 -30.22 -50.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' GLU . 18.3 mp0 -29.6 -61.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -132.76 156.73 46.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.04 120.84 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? -56.34 166.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -125.54 127.43 46.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 15.2 tp -53.98 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 m -100.74 134.91 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -70.25 126.21 28.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 88.0 t -145.97 137.77 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 58' ' ' THR . 56.3 tp60 -70.65 -48.57 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -151.36 146.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 36.6 p90 -163.6 -175.32 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -127.78 104.78 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.5 t -59.37 129.43 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.13 27.22 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 25.8 tttm -120.19 -54.57 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.8 p -110.8 2.32 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 63.32 50.51 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.0 mm-40 -124.8 -173.11 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.19 115.45 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -86.4 -178.67 49.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 57' ' ' GLY . 24.3 p -158.29 137.33 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.745 HG21 ' CG ' ' A' ' 19' ' ' TYR . 25.2 mm 54.73 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.5 m95 -179.56 137.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.691 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 3.2 p -179.13 121.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.634 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 35.2 m-85 -76.5 98.88 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -111.53 158.0 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.643 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 43.0 t -119.05 114.6 22.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.13 2.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 64' ' ' CYS . 15.2 tt0 -108.16 -25.65 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.6 m -134.95 24.38 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.597 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.1 p-10 31.5 55.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' ASP . 1.1 t80 -94.3 172.8 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 4.5 m-20 -162.27 129.21 3.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.986 HD13 ' CD2' ' A' ' 32' ' ' HIS . 97.4 mt -144.3 177.77 8.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.4 m80 -91.41 150.52 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.26 -29.74 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -87.92 -41.96 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.46 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 33.9 m -56.01 -49.63 73.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -61.77 -43.86 98.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' ALA . 15.9 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.94 -39.14 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.7 tt0 -55.36 -32.04 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.7 -31.83 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -104.82 33.82 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 13.0 mttt -61.81 -42.52 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.21 -30.85 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.705 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.3 m0 -51.72 124.93 28.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.66 63.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -61.47 -38.41 87.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -132.59 129.22 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.865 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.9 p -119.6 151.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HE3' ' CD ' ' A' ' 39' ' ' GLU . 5.1 ttmt -104.16 86.99 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.914 ' CD2' HD13 ' A' ' 71' ' ' LEU . 28.0 t-80 -63.74 151.2 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.4 p -68.4 -50.41 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD12 ' HE1' ' A' ' 32' ' ' HIS . 41.5 mt -62.73 -26.11 68.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.4 t60 -121.33 25.66 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -41.08 -31.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -39.29 -48.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.94 148.05 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mp0 -81.11 113.84 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -50.54 171.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.31 101.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.6 tp -39.12 104.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -115.31 138.2 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -65.86 122.48 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.24 133.97 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.54 -50.64 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.4 t -150.94 144.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.8 p90 -160.15 -175.28 4.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -124.99 120.97 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.7 t -82.71 119.47 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -86.45 29.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 10.9 tttp -119.64 -54.29 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.5 p -116.62 14.24 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 52.75 51.45 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 22.7 mm-40 -132.66 156.6 46.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HG3' HG13 ' A' ' 47' ' ' VAL . 5.5 tt0 -104.72 123.53 47.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.97 -179.58 41.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 p -155.84 144.17 20.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.161 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.721 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.9 mm 50.58 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.721 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.8 132.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.594 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.0 t -173.82 119.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CD1' HG12 ' A' ' 30' ' ' VAL . 21.0 m-85 -69.25 99.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.5 t60 -102.36 144.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 4.8 t -116.47 119.7 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.49 31.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 12.0 tt0 -135.01 -37.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -134.53 19.79 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.468 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER 37.39 50.48 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 t80 -95.01 122.13 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -107.66 143.91 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.914 HD13 ' CD2' ' A' ' 32' ' ' HIS . 75.2 mt -151.97 178.04 9.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.1 m80 -95.71 149.67 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.705 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.12 -35.17 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -82.41 -38.96 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' CYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 45.5 m -60.78 -45.28 94.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.68 -41.0 84.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.7 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -165.73 121.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 p -136.52 158.83 43.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 169.61 14.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -145.35 165.2 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 m -91.89 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.49 161.98 15.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.16 168.83 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.726 0.298 . . . . 0.0 111.159 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.53 178.39 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 66.62 28.8 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -128.5 42.51 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' H ' HD12 ' A' ' 12' ' ' LEU . 3.7 mp -83.63 93.39 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 -52.23 4.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.39 -49.31 56.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 HG22 ' CE2' ' A' ' 19' ' ' TYR . 49.9 mm -45.02 -56.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -45.04 -50.18 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.61 -43.22 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -55.74 -57.25 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.744 ' CD1' HG21 ' A' ' 59' ' ' ILE . 16.5 m-85 -52.06 -50.21 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.84 -43.11 13.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 16.9 tt0 -58.17 -31.26 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.69 -33.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.52 35.86 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' GLU . 12.3 mmtp -65.42 -41.14 93.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.72 -30.11 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.9 m0 -49.76 126.04 17.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.53 63.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -76.82 -35.03 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -123.8 120.16 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' HB1' ' A' ' 76' ' ' ALA . 14.5 p -109.66 149.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 36' ' ' GLU . 16.0 tptp -108.56 84.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 71' ' ' LEU . 17.7 t-80 -68.39 166.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -86.85 -46.71 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' N ' HG13 ' A' ' 33' ' ' VAL . 81.6 mt -63.96 -28.89 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 6.0 t60 -117.58 24.57 11.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.8 pt-20 -37.59 -39.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.9 mp0 -34.07 -49.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -138.92 161.61 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -94.41 115.6 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.806 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -53.74 165.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' LEU . 10.8 tt0 -127.91 103.88 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -36.64 102.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.6 m -111.71 135.5 52.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -64.79 123.25 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.49 134.33 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -64.53 -52.03 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG3' ' A' ' 56' ' ' GLU . 22.4 t -152.91 144.78 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.602 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 14.1 p90 -158.03 -175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -126.11 107.46 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 41.8 t -61.62 127.35 31.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.57 33.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 36.1 tttm -127.7 -59.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 32.0 p -103.53 -0.14 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 65.57 49.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.6 mm-40 -126.69 -173.33 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.8 tt0 -131.45 120.35 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.0 177.96 41.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 p -153.04 142.51 21.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.744 HG21 ' CD1' ' A' ' 19' ' ' TYR . 26.7 mm 48.76 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.682 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.4 m95 -177.89 129.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.9 t -170.88 122.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 25.5 m-85 -72.51 98.98 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.443 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 45.7 t-80 -103.83 149.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 13.9 t -117.52 121.66 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.45 33.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -134.79 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 m -127.15 -16.54 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 74.98 46.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 7.3 t80 -96.09 121.94 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 3.0 m-20 -105.35 142.52 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 32' ' ' HIS . 38.8 mt -147.88 178.31 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 6.8 m80 -93.84 151.62 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.615 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.23 -44.22 83.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 22.4 ptmt -75.94 -45.52 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 57.3 m -52.35 -47.26 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.854 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -65.05 -46.74 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 75' ' ' CYS . 1.3 p30 -75.05 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -118.72 -64.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.49 89.65 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 t -129.87 40.59 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -51.66 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.74 -61.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.4 m -99.17 176.98 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -143.09 -163.28 9.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 111.88 2.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -147.19 139.7 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -116.48 117.84 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.521 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -113.25 42.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 54.22 42.18 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.75 -90.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 69.36 41.7 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 p -97.22 148.58 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.75 -151.55 2.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -129.36 -43.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -129.1 136.02 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 5.7 mp0 -82.04 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -148.77 156.65 42.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 mt -109.63 40.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -54.32 -59.99 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' OE2' ' HB2' ' A' ' 18' ' ' LYS . 1.9 tm-20 -79.65 -48.08 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mm -37.49 -54.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -49.68 -47.56 50.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.38 93.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' OE2' ' A' ' 14' ' ' GLU . 22.4 ttpt -53.59 -49.9 66.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.851 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.4 m-85 -47.97 -52.36 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.6 -44.49 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 24' ' ' LYS . 11.4 tm-20 -52.83 -35.33 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -73.36 -32.97 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.82 35.32 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 18.3 mmtt -66.83 -41.16 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.39 -29.74 16.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -51.5 126.69 30.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.538 0.685 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.503 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.76 161.32 46.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -80.52 -36.43 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -120.49 133.43 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.049 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -125.97 143.03 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' CA ' ' HG2' ' A' ' 39' ' ' GLU . 17.0 tptm -106.47 86.33 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 34' ' ' LEU . 5.8 t-80 -74.3 158.91 33.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -76.31 -44.61 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 32' ' ' HIS . 17.7 mt -63.88 -27.31 69.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -124.61 29.47 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -43.32 -37.11 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' GLU . 40.6 mm-40 -34.1 -50.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -137.2 164.84 27.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' CA ' ' A' ' 31' ' ' LYS . 29.9 mt-10 -97.42 112.99 24.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.8 171.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' LEU . 13.9 tt0 -135.53 100.79 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.586 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 16.2 tp -34.4 100.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -110.62 139.92 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -65.85 121.68 15.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' ILE . 46.9 t -140.42 135.75 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.63 -49.93 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.0 t -151.01 147.36 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 21.2 p90 -162.86 -175.06 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 m -128.43 105.33 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.8 t -62.93 136.01 57.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -100.81 33.54 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -127.02 -57.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.1 p -104.35 -3.02 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 65.0 mt-10 67.43 45.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 65.7 mm-40 -126.16 170.81 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.5 tt0 -115.27 120.39 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.93 176.82 38.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.603 ' HB ' HD12 ' A' ' 59' ' ' ILE . 80.5 p -152.5 141.5 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.851 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 54.3 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.712 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.74 132.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.6 t -177.71 119.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 31.5 m-85 -68.29 100.07 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t60 -104.65 152.81 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.7 t -123.83 119.94 31.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.17 37.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.05 -36.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 m -128.42 -6.14 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.524 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.7 m-20 67.12 54.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.2 t80 -95.44 172.86 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -159.82 131.79 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.2 mt -142.95 177.96 8.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.0 m80 -94.1 154.95 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.1 -42.2 94.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -77.09 -44.8 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 44.5 m -52.35 -47.65 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.049 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -67.72 -53.42 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD21 ' CD ' ' A' ' 27' ' ' PRO . 5.9 mt -47.94 -43.78 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.99 129.52 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -128.58 43.57 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.36 42.44 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.7 p -140.93 126.95 19.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -40.72 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' C ' ' OE1' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -48.47 137.41 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.0 p -149.22 130.29 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.62 129.09 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -63.06 115.49 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.1 p -97.8 117.83 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.515 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -116.96 81.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -160.42 143.41 13.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.29 -142.84 4.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -151.25 175.96 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -87.14 152.3 22.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.16 -124.52 7.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -139.06 154.64 48.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -92.54 159.71 15.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -98.27 -65.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -124.92 97.54 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.778 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -41.08 101.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -95.1 -67.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ILE . 5.9 tt0 -67.09 -51.76 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLU . 50.1 mm -35.4 -48.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 32.6 mt-10 -55.18 -48.73 73.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -49.54 -40.33 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.54 -48.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.793 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.4 m-85 -53.52 -48.17 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.86 -38.17 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' CD ' ' A' ' 24' ' ' LYS . 34.5 tt0 -65.78 -35.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.14 -32.86 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.93 32.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 10.8 mtpp -60.64 -43.38 97.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.71 -29.52 18.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -51.13 124.44 22.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.563 0.697 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.79 145.71 57.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.41 -38.05 73.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HE3' ' CG ' ' A' ' 41' ' ' GLU . 13.7 mttt -129.99 139.66 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.029 HG11 ' HB1' ' A' ' 76' ' ' ALA . 11.7 p -118.82 155.0 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -108.04 76.42 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.74 ' CD2' HD13 ' A' ' 71' ' ' LEU . 25.4 t-80 -62.09 157.71 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.9 p -81.24 -47.22 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.69 HD12 ' HE1' ' A' ' 32' ' ' HIS . 29.4 mt -62.71 -24.09 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.1 t60 -120.32 25.64 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.0 pt-20 -37.76 -32.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -38.97 -52.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' ND1' ' OE1' ' A' ' 66' ' ' GLU . 1.1 m80 -141.6 160.44 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.9 110.97 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.842 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.1 mm? -50.73 158.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CG ' ' HE3' ' A' ' 29' ' ' LYS . 14.7 tt0 -116.78 113.91 23.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.579 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 18.6 tp -48.24 99.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.5 m -107.31 137.68 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 3.6 mmm180 -69.91 110.21 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.63 136.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.78 -47.43 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 56' ' ' GLU . 13.5 t -152.08 145.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.1 p90 -161.45 -175.06 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 m -128.33 108.19 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.98 130.12 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -95.97 32.44 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 26.0 tttm -124.06 -49.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.8 p -116.5 1.78 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 63.18 48.2 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -128.72 165.95 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -111.87 119.53 38.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -89.08 -177.96 46.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.9 p -157.42 144.11 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 19' ' ' TYR . 36.2 mm 50.65 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.86 134.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.0 t -177.15 116.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.707 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 41.1 m-85 -65.3 99.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 31.7 t-80 -103.16 146.45 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.49 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.0 t -118.74 116.66 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.81 35.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' ' ND1' ' A' ' 38' ' ' HIS . 16.6 tt0 -135.06 -35.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.55 -5.1 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.6 t70 64.39 48.27 2.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.9 t80 -97.94 126.0 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.04 144.88 39.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.4 mt -150.99 177.35 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.438 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 9.4 m80 -93.89 156.38 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.24 -41.06 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 18.5 ptpt -78.41 -42.45 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.0 m -55.29 -49.85 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.029 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -65.53 -43.83 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.52 HD21 ' HD2' ' A' ' 27' ' ' PRO . 17.3 mt -57.95 -47.72 82.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -104.06 118.01 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 80' ' ' ASP . 5.3 pm0 -87.96 -37.01 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -116.7 137.11 52.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.7 p -134.99 161.79 34.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -49.77 -41.44 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -161.25 142.32 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -70.02 173.89 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.33 165.59 26.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.8 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PRO . 3.2 t 33.72 42.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -60.69 -55.17 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -139.44 151.44 46.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 p -137.28 175.15 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.75 -153.96 11.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -162.28 161.22 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -126.76 121.31 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.83 100.59 2.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 p -111.09 164.05 13.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.78 7.39 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.97 -44.3 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -116.09 103.9 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -124.94 23.44 7.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -52.36 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' ILE . 13.7 tt0 -76.37 -52.01 10.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 mm -36.77 -42.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.28 -57.24 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.98 -44.17 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -50.14 -40.89 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 -62.35 -45.69 92.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -46.43 -39.94 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.8 mt -77.94 -33.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.16 35.55 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -62.56 -46.52 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.8 -28.97 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.693 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 22.0 m0 -46.72 127.79 8.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.594 ' CD ' HD21 ' A' ' 77' ' ' LEU . 54.0 Cg_endo -69.76 167.61 23.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.272 . . . . 0.0 112.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -90.76 -34.58 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -125.92 127.01 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.1 p -125.57 142.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -100.06 96.53 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.99 ' CD2' HD13 ' A' ' 71' ' ' LEU . 9.3 t-80 -78.26 147.34 34.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -62.31 -49.91 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.1 mt -61.48 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.0 t60 -119.33 23.78 11.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' HIS . 8.8 pt-20 -34.99 -36.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' HIS . 32.4 mm-40 -40.63 -52.64 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -136.85 168.15 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -102.13 117.38 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -52.55 171.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.3 tt0 -133.31 106.54 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 17.1 tp -35.42 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.0 m -106.88 139.63 40.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -72.49 129.95 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.4 t -149.59 136.84 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.8 -51.68 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.6 t -151.6 147.88 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.6 p90 -162.58 -175.18 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -127.51 104.77 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.2 t -58.92 141.21 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.09 30.56 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -125.91 -53.67 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.0 p -106.77 -4.96 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 3.2 mp0 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 11.5 mm-40 -127.54 -174.02 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.6 tt0 -127.64 119.45 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.56 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -88.32 179.91 46.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.42 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' GLY . 23.2 p -157.22 140.5 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.772 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 51.73 25.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.701 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.6 m95 -178.5 136.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.672 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.8 p -177.26 119.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 27.8 m-85 -74.02 98.99 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 2.0 t-80 -108.66 155.07 21.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 20.0 t -118.37 120.77 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 23.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -128.5 -30.51 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASP . 3.5 m -133.05 22.36 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 67' ' ' CYS . 2.5 m-20 35.43 54.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.3 t80 -93.9 171.88 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -161.06 132.86 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.99 HD13 ' CD2' ' A' ' 32' ' ' HIS . 69.9 mt -147.09 178.44 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.5 m80 -91.46 147.12 23.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.693 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -55.75 -38.6 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 32.7 m -53.73 -48.68 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.913 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.594 HD21 ' CD ' ' A' ' 27' ' ' PRO . 16.4 mt -65.74 -56.85 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 78' ' ' ASN . 1.0 OUTLIER -74.13 165.05 25.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -114.47 -45.37 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.26 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.0 m -115.87 133.57 55.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -111.61 147.16 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.66 165.59 19.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -41.25 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.69 179.46 22.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m -44.25 -52.73 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.7 t 61.13 42.16 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.471 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.549 -0.221 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -128.93 177.23 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -102.56 169.72 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.8 -115.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -146.29 166.91 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -148.44 164.16 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.81 167.01 10.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -84.78 134.06 34.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.38 114.27 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -120.05 -62.84 1.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -97.07 109.89 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.19 94.94 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -95.79 -60.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 19.5 tt0 -72.35 -47.16 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' GLU . 49.9 mm -37.74 -57.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.93 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -46.38 -45.57 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.795 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.4 m-85 -63.84 -46.15 86.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -49.71 -36.51 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.0 tt0 -61.98 -27.25 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.97 -31.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.78 34.27 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 29.9 mtmt -61.72 -42.89 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -89.61 -30.22 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.658 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -50.17 122.91 15.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.77 158.25 57.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.63 -35.32 45.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -123.29 118.69 28.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 76' ' ' ALA . 10.5 p -118.2 143.52 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 11.0 tttp -101.48 89.09 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.642 ' HE1' HD12 ' A' ' 34' ' ' LEU . 32.1 t-80 -68.61 162.36 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.623 HG21 HG22 ' A' ' 81' ' ' THR . 7.2 p -79.75 -48.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.642 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.2 mt -63.19 -24.62 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 9.0 t60 -121.19 24.51 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -36.07 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.0 mp0 -33.68 -52.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -138.79 170.9 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 31' ' ' LYS . 22.0 mt-10 -99.99 117.13 33.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.784 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -55.19 166.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 24.3 tt0 -128.42 99.89 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.9 tp -35.2 98.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 m -109.46 139.2 44.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -68.05 126.79 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.84 135.08 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.84 -51.65 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 21.1 t -152.5 148.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 19.9 p90 -160.28 179.02 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -125.0 110.77 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 36.1 t -68.7 134.61 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' OD1' ' CE1' ' A' ' 69' ' ' PHE . 6.1 p-10 -96.66 22.91 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 70.2 tttt -116.43 -64.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 25.8 p -96.85 -0.71 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.88 39.42 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 70.5 mm-40 -121.43 166.52 13.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.9 tt0 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.17 -176.22 42.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 57' ' ' GLY . 33.2 p -160.16 142.8 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.165 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.795 HG21 ' CD1' ' A' ' 19' ' ' TYR . 31.8 mm 52.76 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.23 130.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -172.4 111.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.4 m-85 -64.14 99.48 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 25.1 t-80 -104.31 149.81 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.479 ' HB2' HD12 ' A' ' 40' ' ' LEU . 38.9 t -112.82 123.49 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.78 28.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 64' ' ' CYS . 26.0 tt0 -133.24 -50.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -111.54 -15.71 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' CYS . 6.3 m-20 70.96 47.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.556 ' HE2' HD11 ' A' ' 71' ' ' LEU . 11.2 t80 -95.59 121.81 37.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -104.01 148.21 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -154.62 178.77 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.485 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 11.7 m80 -92.97 152.52 19.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.658 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.48 -44.4 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -75.18 -37.44 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.8 m -59.48 -47.55 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -63.02 -44.28 96.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HD2' ' A' ' 27' ' ' PRO . 34.5 mt -63.91 -49.18 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -75.5 108.48 8.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 14.3 tm-20 -94.23 118.76 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 79' ' ' GLU . 19.9 m-20 -168.69 157.02 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.623 HG22 HG21 ' A' ' 33' ' ' VAL . 67.9 p -126.7 39.23 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.17 47.0 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -98.15 -53.84 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.0 m -108.26 157.92 17.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.27 66.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -150.18 163.69 37.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 -49.01 7.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.511 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -164.23 150.71 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -149.6 174.89 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 152.28 18.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.18 157.8 27.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -133.96 157.82 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.27 -175.35 13.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.2 p -139.01 172.0 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 111.183 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 10.4 tt0 -53.12 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -122.04 -60.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -107.75 73.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.786 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -41.17 102.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -86.48 -67.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' ILE . 66.6 tt0 -55.96 -57.29 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.511 HG22 ' CE2' ' A' ' 19' ' ' TYR . 36.8 mm -34.76 -53.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.82 -48.86 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.71 66.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -55.73 -43.73 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.887 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.0 m-85 -66.19 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -48.61 -37.32 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.06 -29.26 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.19 -32.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.13 34.78 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -66.46 -40.91 89.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.5 -29.07 16.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.4 m0 -48.08 125.23 11.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.67 69.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.03 -32.65 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -124.37 122.43 37.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.846 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.6 p -117.94 140.47 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -103.09 84.59 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.1 t-80 -69.29 155.5 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -71.88 -49.6 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.2 mt -61.4 -25.8 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 5.9 t60 -120.66 23.35 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLU . 12.4 pt-20 -38.21 -39.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' GLU . 6.4 mp0 -34.67 -46.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 3.7 m80 -142.45 163.55 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -95.17 117.5 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.76 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -55.59 168.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.7 tt0 -131.74 102.5 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -33.33 101.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.4 m -109.05 138.77 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.2 mmm180 -74.55 123.12 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.9 t -142.58 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.08 -50.7 67.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 56' ' ' GLU . 9.0 t -153.1 147.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.7 p90 -162.55 -175.13 4.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.3 m -127.49 109.74 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 44.2 t -63.43 149.35 46.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.2 23.98 13.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' CE ' ' HG3' ' A' ' 79' ' ' GLU . 17.3 tttm -122.07 -54.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.7 p -103.49 -2.57 26.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 64.81 31.16 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -110.89 -174.81 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 6.0 tt0 -125.06 126.19 44.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.591 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -92.79 -179.31 40.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.6 p -157.57 141.93 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.288 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.887 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.4 mm 50.94 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.718 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.8 m95 -178.46 136.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.681 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.6 p -175.73 118.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 26.7 m-85 -70.63 98.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 17.6 t-80 -103.32 149.29 24.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 12.8 t -115.24 118.77 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.29 33.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' CYS . 10.4 tt0 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.28 -16.54 6.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 t0 74.99 47.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.52 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.3 t80 -97.93 122.26 40.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.51 146.47 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 32' ' ' HIS . 34.6 mt -150.81 178.46 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 9.8 m80 -97.22 152.87 18.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.4 -45.75 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -74.18 -43.64 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.416 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 35.8 m -53.52 -48.6 68.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.846 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -68.6 -40.35 80.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.12 -50.23 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -144.73 167.63 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 52' ' ' LYS . 5.5 tt0 -129.43 136.27 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -117.44 -18.01 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 83' ' ' GLU . 83.3 m -162.27 133.33 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -127.76 49.73 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -129.44 173.28 10.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.451 ' C ' ' OE2' ' A' ' 83' ' ' GLU . 16.6 m -84.63 119.66 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . -164.0 107.26 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 53.5 Cg_endo -69.79 135.98 31.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -151.84 109.26 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.8 p -94.52 42.3 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.44 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -135.06 118.26 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -104.24 -60.32 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.77 -118.67 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 45.43 42.25 7.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -61.5 -49.85 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.79 -167.57 37.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -143.79 165.48 27.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.126 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' THR . 23.2 mm-40 -33.67 143.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -109.11 -58.26 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 21.9 mtt-85 -115.22 83.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.687 ' H ' HD12 ' A' ' 12' ' ' LEU . 5.5 mp -54.1 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -96.15 -55.22 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 15' ' ' ILE . 6.6 tp10 -83.55 -48.21 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG22 ' CE2' ' A' ' 19' ' ' TYR . 49.5 mm -37.09 -45.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -56.98 -52.99 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.72 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -48.53 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' HG21 ' A' ' 59' ' ' ILE . 23.4 m-85 -49.48 -49.98 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.65 -37.48 5.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 29.6 tt0 -53.31 -35.82 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mt -75.44 -29.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.31 34.06 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.3 mttt -64.27 -41.31 96.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -91.7 -29.61 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 20.1 m0 -52.26 124.99 32.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.536 0.684 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.615 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.71 170.31 16.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.266 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -86.78 -36.91 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -121.88 120.37 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 ' HB1' ' A' ' 76' ' ' ALA . 12.2 p -110.62 149.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -109.15 97.43 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CD2' HD13 ' A' ' 71' ' ' LEU . 11.5 t-80 -87.82 159.22 18.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -76.97 -45.51 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 33' ' ' VAL . 84.7 mt -62.82 -28.09 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -121.95 28.05 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.1 pt-20 -39.96 -38.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -32.95 -53.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -136.56 169.95 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 26.1 mt-10 -100.75 109.76 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -45.43 171.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 42' ' ' LEU . 16.3 tt0 -134.31 101.44 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.9 tp -33.28 97.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' GLU . 23.2 m -108.82 135.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -63.62 133.53 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -151.26 132.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.4 tt0 -64.26 -50.67 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 56' ' ' GLU . 24.2 t -155.0 144.85 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.8 p90 -157.12 -175.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -126.88 106.5 9.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 33.1 t -60.69 122.56 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.35 27.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -121.51 -64.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.3 p -98.49 1.34 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 64.24 45.76 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 59.3 mm-40 -120.58 -173.17 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.2 tt0 -132.77 117.78 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.85 -179.44 47.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLY . 29.2 p -156.24 137.88 14.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.752 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.3 mm 54.0 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.5 m95 -178.63 133.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.635 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 15.0 t -176.95 113.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 36.2 m-85 -64.27 99.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 47.4 t60 -106.55 149.28 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 65' ' ' ASP . 24.2 t -128.67 74.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -25.0 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 tp10 -39.91 -53.0 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 m -114.57 -2.86 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.1 m-20 62.17 55.05 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.0 t80 -95.59 174.64 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -162.31 128.92 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.0 mt -141.31 178.16 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 4.8 m80 -92.71 150.48 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.605 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.88 -38.82 86.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -80.42 -35.91 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 56.2 m -63.56 -53.11 56.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -57.1 -45.61 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.615 HD21 ' CD ' ' A' ' 27' ' ' PRO . 26.6 mt -70.4 -37.32 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -102.83 88.05 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -49.07 -50.69 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.29 122.28 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 82' ' ' LYS . 2.7 m -124.33 31.4 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.9 tppt? 31.75 43.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.01 125.8 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.6 p -98.4 -51.56 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.84 63.99 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.36 46.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -71.12 117.52 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -117.87 165.09 14.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.17 -0.795 . . . . 0.0 112.48 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -163.08 161.47 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.818 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -161.56 176.81 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.8 162.53 36.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -151.74 154.28 35.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -144.42 152.98 41.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.18 -109.0 2.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -100.06 171.83 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.094 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 12' ' ' LEU . 4.5 mp0 -46.62 132.04 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -132.31 121.55 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' LEU . 39.1 mtt85 55.44 46.05 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -35.88 100.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 7.8 pttt -96.27 -59.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.6 tp10 -63.2 -52.57 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.4 mm -39.16 -61.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 63.0 mm-40 -56.67 -44.17 81.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 14' ' ' GLU . . . -45.03 -34.38 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -66.65 -58.55 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.697 ' CD1' HG21 ' A' ' 59' ' ' ILE . 10.0 m-85 -42.95 -40.09 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' LYS . 77.6 m-20 -48.02 -44.96 31.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' NZ ' ' A' ' 24' ' ' LYS . 20.2 tt0 -59.75 -24.28 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.9 -30.52 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -119.54 28.38 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.2 ptpp? -70.82 -26.85 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -96.26 -30.65 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 26' ' ' TRP . 7.4 m0 -58.74 130.33 85.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.563 0.697 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.88 55.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.07 77.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 40' ' ' LEU . 14.9 mmmt -125.29 119.17 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.017 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.5 p -116.29 144.48 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -100.19 77.14 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.798 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.1 t-80 -58.94 159.38 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -78.66 -49.23 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HE1' ' A' ' 32' ' ' HIS . 67.4 mt -63.08 -17.16 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.5 t60 -131.96 28.19 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -41.45 -37.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLU . 24.0 mp0 -34.13 -49.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -138.39 169.4 17.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 28.1 mt-10 -100.53 114.15 27.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.08 171.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 11.1 tt0 -135.32 102.6 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.553 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -33.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -109.72 133.25 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -69.04 125.12 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 95.7 t -143.08 136.33 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 58' ' ' THR . 48.6 tp60 -64.5 -50.44 67.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.7 t -154.6 145.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.1 p90 -159.55 -174.96 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 m -129.39 110.93 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 49.0 t -66.82 147.86 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -107.64 25.56 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 66.1 tttt -120.71 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 18.7 p -97.55 -3.49 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 66.09 39.98 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 13.0 mm-40 -119.71 178.57 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.5 tt0 -119.79 122.73 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.22 171.22 33.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 46' ' ' GLN . 5.4 p -149.04 145.35 27.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.73 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 37.7 mm 50.74 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.73 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.3 m95 -178.62 138.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.654 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 9.7 p -177.53 117.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 35.0 m-85 -72.89 98.38 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 14.2 t-80 -103.94 151.0 23.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 38.1 t -112.41 123.94 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.7 28.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' CYS . 4.5 tp10 -134.92 -52.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -108.6 -17.24 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 0.9 OUTLIER 71.21 50.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 71' ' ' LEU . 18.9 t80 -100.72 122.75 43.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.24 150.98 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.5 mt -154.72 178.62 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.0 m80 -95.51 155.58 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.14 -45.18 79.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -75.15 -38.81 60.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.5 m -59.2 -45.05 92.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 1.017 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.01 -43.16 79.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.18 -57.8 8.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -74.6 161.18 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -98.88 168.04 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -110.06 110.08 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -84.1 122.54 28.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 157.12 37.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 39.43 46.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 t -89.12 -57.03 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.8 145.51 10.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -171.95 172.98 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.5 p -78.78 -52.41 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.51 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -121.11 122.26 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 p -172.43 165.53 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.813 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 -115.14 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 t -151.95 142.45 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -66.36 160.05 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.61 131.86 5.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 p -138.65 177.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.79 164.05 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 72.18 25.23 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 12' ' ' LEU . 56.5 mtp85 -134.92 -41.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.825 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -31.25 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -93.87 -56.72 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.55 -46.69 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.3 mm -45.77 -56.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.0 -50.94 60.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.64 -43.39 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -55.83 -43.78 77.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.751 ' CD1' HG21 ' A' ' 59' ' ' ILE . 15.7 m-85 -65.86 -48.73 70.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.59 -38.7 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 8.3 tp10 -59.17 -30.84 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.59 -32.85 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.4 35.56 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 22.9 mttt -61.76 -44.67 96.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.23 -29.84 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.68 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.0 m0 -47.52 124.58 9.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.83 165.0 32.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -87.25 -35.65 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -118.95 129.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 ' HB1' ' A' ' 76' ' ' ALA . 11.6 p -122.07 144.5 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.69 83.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.489 ' CE1' HD12 ' A' ' 34' ' ' LEU . 3.0 t-80 -72.86 161.75 30.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.5 p -81.58 -41.32 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' CE1' ' A' ' 32' ' ' HIS . 26.4 mt -63.87 -27.53 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.5 t60 -120.81 25.74 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 2.4 pp20? -35.14 -40.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' GLU . 31.2 mm-40 -31.61 -51.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -139.37 -179.46 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.22 116.59 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -59.49 165.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -128.18 125.81 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.8 tp -52.04 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -101.42 136.67 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.74 128.93 37.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -149.01 139.13 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 58' ' ' THR . 32.2 tt0 -69.68 -49.55 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 56' ' ' GLU . 7.2 t -151.48 148.73 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 31.6 p90 -165.07 -175.16 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -128.34 106.67 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.1 t -60.86 151.22 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -109.91 27.75 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HD2' ' HE2' ' A' ' 32' ' ' HIS . 29.6 tttp -126.46 -55.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.2 p -100.84 -4.68 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 66.07 30.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -111.14 -177.67 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 9.0 tt0 -122.48 121.19 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.775 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.6 -170.54 46.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.514 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 57' ' ' GLY . 16.2 p -166.52 142.37 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 19' ' ' TYR . 27.5 mm 49.83 25.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.716 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.03 137.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 31.4 p -178.07 120.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 36.7 m-85 -74.45 98.54 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.453 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 6.3 t-80 -107.23 151.98 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.572 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.4 t -117.75 118.55 32.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.89 35.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.0 tp10 -135.0 -36.43 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 3.2 m -125.59 -6.61 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' HB3' ' O ' ' A' ' 67' ' ' CYS . 39.8 t0 66.69 54.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 1.9 t80 -95.49 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.58 125.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.6 mt -135.6 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.68 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 12.3 m80 -95.67 148.72 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.68 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -52.22 -39.55 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -79.94 -42.05 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.3 m -54.71 -43.1 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.855 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -69.04 -43.36 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 27' ' ' PRO . 17.0 mt -68.84 -64.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -95.98 167.29 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -133.36 125.29 28.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -104.2 135.07 46.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 81' ' ' THR . 33.7 m -89.23 -7.39 55.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -159.59 127.09 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -74.93 82.82 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.4 p -84.43 95.69 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.02 108.59 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 172.22 13.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -47.14 106.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.3 t 56.99 52.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.482 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -96.74 124.99 40.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -42.59 -54.51 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.74 118.93 6.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -86.96 101.64 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 7' ' ' GLY . 44.9 m -57.49 -44.4 84.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.36 113.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -47.43 138.74 7.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.24 137.05 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -112.29 -44.45 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -138.51 171.93 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.5 mt -131.74 85.05 2.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -80.23 -68.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' ILE . 7.2 tp10 -71.26 -51.72 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLU . 44.3 mm -35.24 -53.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.68 -45.33 77.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.32 -38.77 66.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -60.32 -37.12 79.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 17.0 m-30 -64.84 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -44.81 -39.86 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.05 -36.78 70.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -72.7 -35.81 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.98 25.04 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.3 ptpt -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 24.9 t0 -86.06 -31.73 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -53.66 128.28 52.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 149.08 66.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.06 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 9.1 mmtp -124.96 121.97 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.821 HG21 ' HB1' ' A' ' 76' ' ' ALA . 13.8 p -116.51 146.92 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 38.4 tttm -108.17 104.24 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.803 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.3 t-80 -89.59 157.42 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.2 p -70.99 -49.48 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 24.1 mt -61.13 -28.08 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -119.33 25.42 10.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -38.66 -39.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -37.45 -48.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -140.87 164.33 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 1.5 mp0 -97.42 131.08 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.641 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.9 mm? -66.56 168.69 8.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -132.26 115.19 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 12.8 tp -40.18 103.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.2 m -111.62 135.78 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' NH1' HG23 ' A' ' 59' ' ' ILE . 5.8 mmm180 -68.89 122.55 18.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 11.5 t -143.1 145.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -77.15 -49.17 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.2 t -154.47 149.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 57' ' ' GLY . 36.3 p90 -161.29 -175.06 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -128.37 104.51 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.0 t -59.05 124.22 19.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -91.56 29.08 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -122.9 -54.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.4 p -107.06 -2.17 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 67.1 47.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 25.8 mm-40 -126.52 -173.61 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.2 tt0 -131.11 117.95 19.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.03 178.89 49.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.3 p -159.95 137.36 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.794 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 42.0 mm 60.84 24.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.794 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.3 m95 175.53 139.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -173.77 120.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 23.0 m-85 -78.12 99.81 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -112.61 151.03 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.431 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 6.3 t -107.26 126.01 51.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -81.61 34.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -134.86 -36.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -122.07 -15.58 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' ' NE2' ' A' ' 63' ' ' HIS . 5.2 t70 75.01 54.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HE2' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -94.94 171.92 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 m-20 -153.86 137.42 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 32' ' ' HIS . 76.8 mt -153.16 177.87 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.2 m80 -92.22 155.58 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.64 -38.74 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -80.56 -38.5 29.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.5 m -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.821 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -64.49 -41.47 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.61 -43.1 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.68 112.33 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.89 36.52 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.82 167.36 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.2 p -38.64 154.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -131.79 173.36 11.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.6 pt-20 -121.12 141.63 50.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.2 p -48.92 144.18 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.23 130.31 7.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.03 29.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.232 . . . . 0.0 112.33 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -45.16 115.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -125.8 106.33 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.539 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -60.35 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -46.8 163.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.24 123.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -119.77 159.22 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -153.56 150.68 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.28 -119.34 3.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -80.4 146.24 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -148.91 162.48 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 11' ' ' ARG . 1.6 pm0 -58.38 -36.87 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 10.2 ptt180 -125.34 137.87 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 15' ' ' ILE . 19.8 mt -135.93 119.32 16.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -93.87 -50.18 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ILE . 3.4 tp10 -75.21 -52.69 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.534 HG13 HD22 ' A' ' 12' ' ' LEU . 37.8 mm -35.05 -52.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -46.1 -50.24 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.71 -50.03 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.7 -48.0 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 59' ' ' ILE . 13.6 m-85 -67.48 -50.87 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -46.25 -37.74 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.29 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.28 -34.89 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.64 31.19 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.86 -30.68 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.3 m0 -56.13 125.06 62.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 77' ' ' LEU . 54.3 Cg_endo -69.66 150.49 68.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.362 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -70.04 -36.68 75.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 15.2 mmtt -126.19 118.43 25.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.7 p -112.63 154.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 30' ' ' VAL . 3.1 tppp? -110.09 83.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.5 t-80 -62.83 154.61 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -75.38 -48.94 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.7 mt -62.86 -23.04 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 8.6 t60 -121.98 26.51 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -38.53 -37.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.7 mm-40 -35.46 -49.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -139.65 175.49 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -104.77 125.51 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -63.45 168.13 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LEU . 8.9 tt0 -132.46 103.21 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 14.2 tp -35.39 101.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 m -109.19 143.57 38.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.5 mmm180 -78.29 124.03 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 85.7 t -143.8 135.7 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -63.08 -52.0 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.4 t -153.56 146.36 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 16.8 p90 -158.78 -175.01 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -128.63 106.43 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.0 t -59.55 131.85 52.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -96.94 28.69 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -123.63 -57.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -104.14 -1.75 26.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 65.83 51.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 18.5 mm-40 -127.31 -173.35 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 47' ' ' VAL . 16.4 tt0 -132.09 115.56 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -87.1 179.28 48.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -155.07 145.65 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.685 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.1 mm 48.51 24.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.8 m95 -178.7 138.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.659 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.1 p -176.6 117.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 40' ' ' LEU . 15.8 m-85 -70.16 99.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 12.7 t-80 -104.66 151.06 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.53 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.8 t -119.42 122.44 41.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.17 30.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.6 tp10 -134.97 -36.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -135.01 19.87 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' CYS . 7.4 p-10 35.57 52.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 7.6 t80 -97.95 115.44 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 2.8 m-20 -102.27 143.24 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.818 HD13 ' CD2' ' A' ' 32' ' ' HIS . 46.9 mt -149.75 177.92 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.7 m80 -92.2 141.81 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.691 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.8 -39.14 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -79.19 -39.76 32.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 16.6 m -57.25 -49.31 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.37 -41.99 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 73' ' ' ALA . 6.5 mt -60.06 -45.38 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -89.44 163.1 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 80' ' ' ASP . 4.7 pt-20 -109.2 -48.82 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 79' ' ' GLU . 6.0 t0 -32.69 111.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.8 m -119.92 130.56 54.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -129.38 81.64 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -51.79 142.4 15.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 p -146.3 146.66 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . -149.72 108.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 54.1 Cg_endo -69.74 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.5 m -149.94 146.66 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -81.52 -57.92 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.467 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -134.45 159.6 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -83.36 153.27 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.61 83.13 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -169.09 147.14 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 t -51.9 136.17 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.35 146.28 3.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.4 p -141.25 140.74 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' CA ' HD11 ' A' ' 12' ' ' LEU . 25.3 mt-10 -78.76 130.68 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' CG ' ' HD3' ' A' ' 11' ' ' ARG . 35.8 tt0 -165.7 124.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' CG ' ' A' ' 10' ' ' GLU . 1.6 mpt_? 45.23 54.25 7.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD11 ' CA ' ' A' ' 9' ' ' GLU . 5.7 mp -78.93 43.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.63 -43.8 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -42.95 17.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.23 -58.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -43.49 -45.73 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.71 -40.94 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.742 ' CD1' HG21 ' A' ' 59' ' ' ILE . 18.4 m-85 -61.11 -45.65 93.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -48.58 -38.26 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 57.2 tt0 -57.26 -31.24 65.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.52 -30.49 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.82 34.04 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 24.1 mttm -60.06 -45.79 91.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.41 -29.52 19.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -48.56 123.97 11.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.894 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 165.12 32.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.04 -35.61 20.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 12.3 mmtm -123.25 118.8 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.8 p -122.99 144.53 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -105.04 103.13 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.2 t-80 -79.85 159.34 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 34' ' ' LEU . 6.3 p -70.26 -49.46 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' N ' HG13 ' A' ' 33' ' ' VAL . 88.8 mt -63.98 -23.45 67.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 7.6 t60 -123.54 22.94 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' HIS . 17.3 pt-20 -38.91 -33.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -39.12 -51.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -134.8 171.61 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.42 124.29 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -61.07 169.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.6 tt0 -132.96 95.68 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.7 tp -32.34 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.6 m -113.34 139.59 48.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.8 mmm180 -71.08 127.22 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 t -143.47 143.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.1 tp60 -69.68 -49.2 55.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 46' ' ' GLN . 16.0 t -156.34 145.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' ' OG ' ' A' ' 61' ' ' SER . 27.9 p90 -157.45 -174.98 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.3 m -129.96 114.62 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 38.5 t -73.19 129.53 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.8 25.18 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 46.8 tttm -118.58 -67.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 24.6 p -95.32 5.0 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 58.22 40.05 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -120.95 169.13 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.3 tt0 -113.86 125.69 54.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' THR . . . -93.48 -177.71 39.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 57' ' ' GLY . 18.2 p -160.84 140.48 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.697 0.284 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 57.06 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.735 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 178.09 132.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -171.95 116.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.673 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 28.0 m-85 -72.88 99.43 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 2.0 t-80 -105.46 152.25 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 66' ' ' GLU . 27.3 t -110.23 128.55 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 17.9 t0 -81.51 30.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.94 -53.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.3 m -107.98 -18.57 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t0 75.0 45.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 71' ' ' LEU . 22.0 t80 -95.16 121.88 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.08 153.74 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.6 mt -158.57 178.85 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 14.7 m80 -94.86 155.49 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.593 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.58 -45.49 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.54 -36.6 65.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 55.3 m -63.33 -43.84 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.637 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.58 -41.62 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.894 HD21 ' HD2' ' A' ' 27' ' ' PRO . 80.3 mt -66.35 -56.91 8.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.39 148.96 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -104.57 123.44 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -128.77 86.6 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -55.38 101.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -131.48 42.25 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -46.39 158.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -168.94 174.75 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.44 128.77 18.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -109.19 83.59 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -125.44 -53.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.522 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -167.36 151.41 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -157.93 118.89 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.5 -97.69 2.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 66.66 43.01 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -132.86 102.44 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.61 -154.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -113.35 130.08 56.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.38 7.46 17.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -40.51 -48.55 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -112.35 119.2 37.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -109.25 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -86.34 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.47 -58.35 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.705 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.8 mp -41.63 -64.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.06 -53.21 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -41.27 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.694 ' CD1' HG21 ' A' ' 59' ' ' ILE . 24.2 m-85 -59.85 -44.3 94.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' LYS . 30.9 m-20 -44.25 -43.52 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.77 -37.69 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG22 ' CH2' ' A' ' 26' ' ' TRP . 65.0 mt -71.63 -32.09 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.18 26.48 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASP . 13.7 ptpt -64.36 -34.51 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.51 -30.46 13.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.542 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.9 m0 -53.54 126.38 47.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.571 0.701 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.76 63.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -69.7 -36.32 75.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -123.87 119.68 30.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.826 HG11 ' HB1' ' A' ' 76' ' ' ALA . 14.8 p -115.73 149.69 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -104.58 81.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.3 t-80 -62.89 151.55 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.39 -49.07 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.584 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.4 mt -61.89 -26.52 68.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.9 t60 -119.28 27.41 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.3 pt-20 -37.82 -38.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 43.2 mp0 -34.96 -51.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.27 174.17 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 31.7 mt-10 -106.92 117.36 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.2 mm? -57.46 167.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' LEU . 38.4 tt0 -130.18 108.64 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 13.8 tp -37.33 103.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.5 m -111.43 142.74 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 4.4 mmm180 -76.76 125.5 29.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.94 137.94 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.21 -51.5 57.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.0 t -151.45 148.13 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.677 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 25.3 p90 -162.14 -175.06 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.8 m -127.47 108.92 11.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.04 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -107.08 31.73 5.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CE ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 tttm -126.51 -56.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -105.83 -4.1 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 42.5 mt-10 69.08 43.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.52 167.4 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG3' HG13 ' A' ' 47' ' ' VAL . 7.7 tt0 -109.35 127.22 54.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -95.72 -178.17 36.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 57' ' ' GLY . 28.1 p -158.5 143.91 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 35.2 mm 50.92 24.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.1 m95 -179.28 137.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.677 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.5 p -177.7 116.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.2 m-85 -69.51 98.42 1.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 17.2 t-80 -103.12 144.64 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.521 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 t -112.64 121.07 43.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.54 30.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' CYS . 9.8 tt0 -134.97 -35.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.8 m -134.97 19.55 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 67' ' ' CYS . 25.4 t0 36.86 49.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 10.1 t80 -96.49 118.55 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -103.28 149.24 24.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 32' ' ' HIS . 39.1 mt -153.17 178.59 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.458 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 5.4 m80 -94.22 156.99 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.07 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -76.85 -41.9 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.41 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 41.5 m -54.52 -49.08 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.826 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.63 -46.59 81.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.4 mt -59.63 -61.66 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -131.83 153.73 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 52' ' ' LYS . 38.0 tt0 -98.21 104.51 16.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -175.36 124.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 81' ' ' THR . 4.9 t -125.05 77.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 148.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 84' ' ' SER . 3.2 pp20? -100.16 -45.58 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 4.3 m -49.29 -56.51 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.37 -140.4 16.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.58 67.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.8 m -141.15 134.43 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 t -130.43 118.88 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -135.41 136.01 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -89.31 148.25 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.69 174.97 5.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -130.37 161.82 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -132.05 166.84 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.45 167.39 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -78.43 147.86 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.38 153.75 43.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -77.41 -51.54 10.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.94 121.49 24.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 HD22 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -117.79 40.36 3.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -50.2 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -55.13 -59.49 4.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG22 ' CE2' ' A' ' 19' ' ' TYR . 31.8 mm -38.33 -62.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.29 -47.8 13.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.3 98.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -54.04 -42.88 69.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.721 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.9 m-85 -56.42 -49.03 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -41.11 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 18.8 tt0 -56.59 -36.13 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.78 -33.37 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.72 34.93 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 8.3 mtpp -63.44 -46.11 87.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.0 -29.78 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.545 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 13.9 m0 -53.16 124.81 39.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.531 0.681 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.96 36.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -82.83 -35.69 26.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -126.08 118.2 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.844 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.9 p -116.21 143.5 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -102.26 87.36 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.856 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.9 t-80 -66.25 150.27 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.583 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -69.8 -49.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.67 HD12 ' HE1' ' A' ' 32' ' ' HIS . 33.2 mt -63.32 -18.67 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 8.5 t60 -130.7 25.14 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' HIS . 15.0 pt-20 -39.76 -36.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mp0 -33.52 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 8.1 m80 -141.77 164.95 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 47.0 mt-10 -99.07 114.35 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 64' ' ' CYS . 3.0 mm? -52.06 171.69 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' LEU . 9.4 tt0 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.6 tp -26.84 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -109.48 140.21 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -73.55 128.47 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 69.9 t -147.65 141.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -71.04 -50.27 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 56' ' ' GLU . 11.8 t -153.16 147.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 26.6 p90 -162.58 -175.04 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -127.44 108.75 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.1 t -63.43 123.52 18.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -87.36 32.27 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.597 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.6 ttpt -126.41 -64.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -98.21 1.77 47.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 62.95 49.44 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.49 -173.09 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -131.58 119.48 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -90.57 179.21 43.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.4 p -155.52 142.83 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 21.7 mm 51.44 25.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.732 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 6.3 m95 -179.5 136.9 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.9 p -174.6 126.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 24.7 m-85 -79.34 97.88 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.497 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 19.0 t-80 -102.85 154.08 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.3 t -121.45 119.43 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 65' ' ' ASP . 16.6 t0 -77.89 33.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' CYS . 19.1 tt0 -134.84 -37.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.72 -6.06 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 16.6 t70 63.82 54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 9.3 t80 -105.03 118.43 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 15.1 m-20 -102.37 145.45 29.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -149.55 178.48 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.3 m80 -93.04 150.62 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.74 -41.19 81.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -78.55 -40.57 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 28.4 m -55.92 -47.4 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.844 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.23 -41.53 85.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.36 -59.75 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -85.14 93.96 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.69 92.62 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -105.33 138.26 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.0 p -46.42 164.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.05 153.04 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -151.79 112.56 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -58.37 155.23 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.72 140.41 16.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 141.84 46.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 t -38.79 -52.12 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -106.32 159.81 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.521 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -156.18 176.48 12.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.6 p -125.33 147.19 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.35 -176.18 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -142.41 164.9 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -113.02 -61.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.4 -151.46 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -145.4 149.02 33.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 111.161 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -63.14 131.44 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -125.25 -47.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -94.24 69.62 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.78 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -39.64 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -96.39 -45.37 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.57 -47.19 50.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 18' ' ' LYS . 43.4 mm -43.71 -64.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' ILE . 31.7 mt-10 -35.74 -57.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.67 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ILE . 24.7 mmtp -51.61 -45.26 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CG ' HG21 ' A' ' 59' ' ' ILE . 21.3 m-85 -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -48.47 -35.22 12.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 22.3 tp10 -58.32 -31.71 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.27 -31.52 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.2 30.13 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.6 mttm -62.07 -46.81 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.31 -26.69 24.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.585 ' CZ3' ' HB1' ' A' ' 73' ' ' ALA . 25.0 m0 -57.04 125.97 71.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.77 7.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -92.24 -36.1 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -122.16 128.49 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.924 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -126.32 143.68 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -107.19 104.25 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLU . 21.9 t-80 -90.74 143.52 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -51.42 -49.92 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 33' ' ' VAL . 53.6 mt -62.35 -23.34 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.8 t60 -120.46 24.94 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 13.0 pt-20 -40.23 -35.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -40.62 -51.28 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -137.12 -175.81 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -113.71 114.89 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.04 172.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 18.2 tt0 -134.85 103.95 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD13 ' CE2' ' A' ' 62' ' ' TYR . 17.6 tp -34.16 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 21.9 m -103.26 138.79 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -74.05 130.46 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 81.9 t -150.45 137.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -67.57 -49.13 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.13 146.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.673 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 28.3 p90 -161.41 -175.27 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -126.83 106.29 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.7 t -60.25 130.18 45.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.49 30.08 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 29.6 tttt -124.05 -61.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.4 p -101.39 -0.15 35.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 60.7 mt-10 65.09 50.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 19.7 mm-40 -126.96 -172.99 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.95 118.03 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' THR . . . -88.73 -178.06 46.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.7 p -158.98 139.56 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 111.141 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.707 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.6 mm 54.39 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.707 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.66 137.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.673 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.5 p -177.53 116.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.792 ' CE2' HD13 ' A' ' 42' ' ' LEU . 35.0 m-85 -73.34 98.43 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.3 OUTLIER -110.32 158.0 18.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.668 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 41.7 t -119.14 115.04 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -66.81 4.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.9 tt0 -112.32 -27.32 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASP . 21.7 m -130.96 18.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.623 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 m-20 34.29 54.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.5 t80 -94.19 172.16 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -159.72 121.29 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 52' ' ' LYS . 13.5 mt -135.11 177.74 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 3.5 m80 -91.92 150.01 21.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.585 ' HB1' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.24 -36.08 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 7.5 ptmt -84.81 -43.69 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.422 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 98.3 m -57.67 -51.84 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.924 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -54.63 -51.66 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.83 -67.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LYS . 10.9 t-20 -56.49 103.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -91.39 109.58 20.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.95 110.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 81' ' ' THR . 15.9 m -66.77 -6.81 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.34 145.02 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.85 119.71 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t -90.21 -41.04 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 87' ' ' SER . . . -119.69 111.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 14.89 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 85' ' ' GLY . 28.3 t -71.76 -57.85 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -98.45 175.96 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.485 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -53.36 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.81 159.68 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -39.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -103.23 84.4 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.789 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.1 118.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.93 162.65 35.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 p -96.47 177.71 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.741 0.305 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.573 ' HA ' HD21 ' A' ' 12' ' ' LEU . 4.2 mp0 -79.41 11.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -97.9 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 63.63 55.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -65.69 74.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -55.78 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.28 -59.09 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.96 -65.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 18.0 mm-40 -41.14 -45.31 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.97 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -54.98 -51.04 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.5 m-85 -49.41 -57.83 6.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -48.14 -34.08 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 12.7 tt0 -70.14 -29.56 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.0 mt -75.5 -33.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -101.22 31.73 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 21.0 mttt -60.49 -42.88 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -88.62 -27.23 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.1 m0 -57.97 124.88 71.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.79 178.01 5.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.1 -32.22 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -127.98 119.19 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.885 HG11 ' HB1' ' A' ' 76' ' ' ALA . 8.4 p -111.87 151.44 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -109.03 89.71 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.868 ' CD2' HD13 ' A' ' 71' ' ' LEU . 15.5 t-80 -72.62 155.45 40.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.78 -50.37 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 33' ' ' VAL . 22.6 mt -63.88 -24.79 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.8 t60 -122.38 27.98 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.68 -37.07 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 4.6 tt0 -37.32 -35.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -147.28 173.04 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -57.37 174.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.8 tt0 -135.07 103.98 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 17.1 tp -33.81 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.4 m -102.48 141.54 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -74.88 132.43 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.0 t -153.03 138.62 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.73 -49.68 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.7 t -152.15 147.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 27.4 p90 -163.33 -175.12 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -127.44 107.26 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.0 t -62.19 147.11 48.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.16 30.42 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 11.7 tttp -126.81 -55.09 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 27.2 p -106.32 -1.25 23.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 45.9 mt-10 64.88 42.56 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 31.8 mm-40 -121.66 174.65 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.6 tt0 -117.43 122.86 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.88 177.51 38.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -155.1 140.4 17.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 53.86 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.683 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 -178.71 135.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.661 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.0 p -177.65 118.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.6 m-85 -70.96 99.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.425 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 34.3 t-80 -102.91 149.61 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 40' ' ' LEU . 15.8 t -115.83 123.8 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.34 32.84 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -135.01 -38.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 1.4 m -127.13 -16.69 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.97 48.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.2 t80 -95.91 118.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -104.55 140.21 38.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.868 HD13 ' CD2' ' A' ' 32' ' ' HIS . 72.4 mt -146.45 178.09 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.5 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 10.3 m80 -93.74 154.56 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -58.97 -37.65 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 10.3 ptpp? -81.19 -41.29 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.8 m -56.55 -43.55 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.885 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.69 -52.72 41.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.851 HD21 ' HD2' ' A' ' 27' ' ' PRO . 48.9 mt -70.75 -65.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LYS . 3.1 t-20 -65.41 161.06 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -122.55 109.92 14.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.63 150.92 42.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.684 HG23 ' HG2' ' A' ' 83' ' ' GLU . 11.1 t -101.27 163.01 12.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -89.53 92.0 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.684 ' HG2' HG23 ' A' ' 81' ' ' THR . 43.8 mm-40 -118.93 170.13 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 m -114.1 90.27 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.04 -138.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.59 16.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -55.09 -52.75 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.4 t -61.13 113.46 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -170.14 175.79 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -143.92 164.73 29.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.21 -162.0 11.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -148.9 150.35 32.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -101.07 145.27 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 8' ' ' THR . . . 167.24 46.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 7' ' ' GLY . 23.9 p -155.94 142.77 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -121.67 145.02 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -112.24 -62.17 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -111.18 134.54 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 24.4 mt -113.41 77.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -64.81 -55.11 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.64 -45.76 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.496 ' CG1' ' HB3' ' A' ' 12' ' ' LEU . 49.8 mm -55.02 -62.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 15.4 mt-10 -39.99 -48.54 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.12 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.16 -45.75 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CG ' HG21 ' A' ' 59' ' ' ILE . 12.0 m-85 -62.18 -49.21 76.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -46.04 -38.05 7.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 30.2 tt0 -62.62 -32.9 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.7 mt -71.77 -30.87 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.59 33.77 3.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' GLU . 7.0 mtpp -61.8 -44.09 97.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -88.64 -30.88 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -48.96 124.4 12.9 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 162.25 42.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -82.42 -35.76 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.8 mmmm -125.12 118.5 26.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -117.39 149.04 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -110.18 97.14 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 71' ' ' LEU . 27.5 t-80 -76.68 161.23 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.5 p -74.8 -50.34 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.3 mt -61.49 -26.7 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 5.7 t60 -120.6 26.6 9.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -40.8 -38.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.9 mm-40 -33.39 -48.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -140.95 173.89 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -103.51 132.61 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? -71.3 168.14 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.2 tt0 -130.4 105.29 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.678 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.2 tp -36.67 101.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 m -112.74 136.26 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 44' ' ' ARG . 5.0 mmm180 -70.45 128.91 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.97 139.17 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 47' ' ' VAL . 7.6 tp60 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLN . 12.4 t -156.67 148.29 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -159.02 -175.07 5.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -129.52 106.36 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.8 t -62.76 122.87 16.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.16 30.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 33.3 tttt -121.87 -58.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -106.2 2.15 26.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 39.0 mt-10 64.03 47.78 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.4 mm-40 -128.25 171.13 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.8 tt0 -117.58 123.24 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.81 -177.67 40.96 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.4 p -160.27 138.9 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.725 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.1 mm 57.7 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.725 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.91 134.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -171.99 117.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.678 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 25.6 m-85 -75.32 100.45 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 1.5 t-80 -104.43 151.33 23.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.8 t -113.37 125.14 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -80.89 32.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -134.88 -38.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 1.8 m -128.65 -7.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 67' ' ' CYS . 1.4 m-20 64.74 46.9 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 10.5 t80 -95.29 122.58 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.21 151.47 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' A' ' 32' ' ' HIS . 17.9 mt -156.38 178.22 10.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.517 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 7.2 m80 -95.06 150.63 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -54.9 -40.65 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 12.3 ptpt -79.93 -37.39 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 56.6 m -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.966 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.14 -45.61 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt -56.26 -57.4 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -124.2 114.69 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.77 154.34 36.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -166.84 157.24 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.1 t -127.54 125.55 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -136.22 146.09 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -98.12 129.11 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.1 p -127.95 166.57 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 87' ' ' SER . . . -87.77 -167.37 43.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 11.73 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 85' ' ' GLY . 97.5 p -108.59 118.86 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 t -85.91 120.18 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -123.84 143.41 50.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.385 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -91.64 134.97 34.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.7 -145.73 9.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t -153.14 158.52 41.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -99.68 -45.32 5.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.96 -109.54 1.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.7 p -71.76 162.56 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -108.72 154.07 22.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.52 -59.2 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 11' ' ' ARG . 12.2 mtm105 -98.21 103.28 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' C ' ' OE2' ' A' ' 16' ' ' GLU . 5.6 mp -92.96 45.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -51.94 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -49.77 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG22 ' CE2' ' A' ' 19' ' ' TYR . 50.8 mm -44.23 -45.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 17.9 mt-10 -55.94 -46.66 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.6 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -51.54 -44.42 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 17.1 m-85 -73.54 -49.48 26.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.44 -38.71 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.8 tt0 -58.61 -32.45 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.6 mt -77.16 -33.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -104.62 36.2 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 6.8 mtmp? -64.41 -43.87 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -90.64 -29.5 17.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.535 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 17.2 m0 -50.21 124.12 17.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.569 0.7 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.525 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.75 177.02 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -94.87 -35.97 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.37 127.69 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.3 p -123.09 143.69 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 83.94 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.875 ' CD2' HD13 ' A' ' 71' ' ' LEU . 19.5 t-80 -67.19 148.95 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 34' ' ' LEU . 2.7 p -69.36 -47.74 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD12 ' HE1' ' A' ' 32' ' ' HIS . 76.1 mt -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 7.7 t60 -118.8 25.56 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.4 pt-20 -36.48 -38.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -34.12 -55.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -134.66 179.61 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 18.3 mt-10 -110.86 115.33 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.3 mm? -54.41 170.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.03 106.04 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 62' ' ' TYR . 15.1 tp -40.03 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 m -110.1 139.99 44.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 4.1 mmm180 -66.77 117.4 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.16 132.56 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -63.79 -54.97 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 23.8 t -149.66 146.79 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.646 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.6 p90 -160.37 -178.29 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -123.48 105.31 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 42.6 t -60.87 119.73 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 16.0 t0 -86.68 31.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -124.09 -56.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.2 p -107.84 2.26 23.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 15.9 mm-40 64.13 47.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 40.6 mm-40 -125.01 -174.01 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.5 tt0 -131.23 119.12 21.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 58' ' ' THR . . . -87.45 -173.75 48.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.6 p -161.97 144.4 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 30.6 mm 46.32 24.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.684 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.0 m95 -178.71 131.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.646 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 8.5 t -174.67 120.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 42' ' ' LEU . 23.9 m-85 -70.46 98.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.0 t60 -101.69 142.43 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.566 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.7 t -112.1 120.66 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.06 30.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 64' ' ' CYS . 1.3 tp10 -134.99 -34.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -135.02 21.97 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.522 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 13.0 m-20 35.43 46.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 8.4 t80 -94.86 126.75 40.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -112.85 149.81 32.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.875 HD13 ' CD2' ' A' ' 32' ' ' HIS . 47.0 mt -152.95 177.77 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -94.15 149.69 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.66 -42.9 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.48 -39.47 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.3 m -58.95 -46.55 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.17 -46.13 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 27' ' ' PRO . 14.3 mt -66.96 -62.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -116.89 162.58 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -115.72 -45.42 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' OD1' ' C ' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -63.41 120.06 10.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.7 t -132.33 -3.94 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -120.33 157.3 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -72.23 148.09 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.0 m -59.27 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.34 179.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.18 22.71 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.3 p -120.21 133.43 55.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 m -134.98 152.19 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.462 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -161.24 149.31 15.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -145.83 165.53 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.47 -52.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 p 37.91 41.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -65.57 170.08 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.1 107.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.9 p -87.51 146.65 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.288 . . . . 0.0 111.132 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.688 ' HB2' HD21 ' A' ' 12' ' ' LEU . 5.4 pt-20 -86.97 119.07 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -119.56 -46.14 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 49.7 mtt180 -121.61 112.83 18.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' A' ' 9' ' ' GLU . 20.0 mt -110.02 103.77 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -86.96 -50.34 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 8.5 tp10 -68.48 -53.06 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' CZ ' ' A' ' 19' ' ' TYR . 49.1 mm -36.88 -60.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 62.0 mt-10 -39.59 -44.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 14' ' ' GLU . . . -52.16 -43.68 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -52.6 -55.8 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' HG21 ' A' ' 59' ' ' ILE . 9.0 m-85 -46.89 -47.77 21.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.07 -35.42 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.2 tp10 -67.17 -22.97 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.44 -28.77 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -106.68 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 32.8 mttt -62.52 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.64 -30.35 19.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.62 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.7 m0 -49.04 126.32 14.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 154.04 68.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -77.23 -34.16 56.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.37 120.62 30.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -113.58 140.41 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -96.71 86.64 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.986 ' CD2' HD13 ' A' ' 71' ' ' LEU . 8.7 t-80 -73.6 141.69 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -61.17 -47.44 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 33' ' ' VAL . 33.3 mt -62.01 -27.05 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.6 t60 -116.88 23.48 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.7 tt0 -30.22 -50.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' GLU . 18.3 mp0 -29.6 -61.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -132.76 156.73 46.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.04 120.84 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? -56.34 166.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -125.54 127.43 46.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 15.2 tp -53.98 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 m -100.74 134.91 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -70.25 126.21 28.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 88.0 t -145.97 137.77 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 58' ' ' THR . 56.3 tp60 -70.65 -48.57 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -151.36 146.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 36.6 p90 -163.6 -175.32 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -127.78 104.78 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.5 t -59.37 129.43 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.13 27.22 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 25.8 tttm -120.19 -54.57 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.8 p -110.8 2.32 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 63.32 50.51 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.0 mm-40 -124.8 -173.11 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.19 115.45 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -86.4 -178.67 49.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 57' ' ' GLY . 24.3 p -158.29 137.33 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.745 HG21 ' CG ' ' A' ' 19' ' ' TYR . 25.2 mm 54.73 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.5 m95 -179.56 137.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.691 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 3.2 p -179.13 121.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.634 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 35.2 m-85 -76.5 98.88 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -111.53 158.0 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.643 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 43.0 t -119.05 114.6 22.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.13 2.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 64' ' ' CYS . 15.2 tt0 -108.16 -25.65 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.6 m -134.95 24.38 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.597 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.1 p-10 31.5 55.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' ASP . 1.1 t80 -94.3 172.8 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 4.5 m-20 -162.27 129.21 3.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.986 HD13 ' CD2' ' A' ' 32' ' ' HIS . 97.4 mt -144.3 177.77 8.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.4 m80 -91.41 150.52 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.26 -29.74 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -87.92 -41.96 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.46 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 33.9 m -56.01 -49.63 73.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -61.77 -43.86 98.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' ALA . 15.9 mt -63.95 -62.2 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -77.14 178.57 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -137.78 112.65 9.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -123.35 -16.64 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.4 p 39.26 46.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 5.3 tppp? -59.38 148.56 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 11.4 pt-20 -66.56 156.39 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 p -137.85 167.05 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.46 154.07 24.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.42 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.268 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 p 40.2 42.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t 47.62 43.42 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.503 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -156.63 171.04 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -163.23 176.56 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.65 160.42 27.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.541 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -147.75 138.91 23.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.4 m -132.85 156.23 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.59 -143.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 m -94.61 -52.34 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -158.22 150.69 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -94.35 -67.41 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 13' ' ' LYS . 29.3 mtt180 -114.6 -17.42 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.562 ' HA ' HD13 ' A' ' 15' ' ' ILE . 2.1 pp 33.11 30.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' ARG . 14.6 mmtp -42.66 -63.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.9 tt0 -47.35 -59.82 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.846 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.7 mp -35.84 -52.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -44.46 -54.42 5.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -40.41 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -43.18 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 -62.43 -46.81 86.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.94 -39.14 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.7 tt0 -55.36 -32.04 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.7 -31.83 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -104.82 33.82 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 13.0 mttt -61.81 -42.52 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.21 -30.85 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.705 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.3 m0 -51.72 124.93 28.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.66 63.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -61.47 -38.41 87.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -132.59 129.22 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.865 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.9 p -119.6 151.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HE3' ' CD ' ' A' ' 39' ' ' GLU . 5.1 ttmt -104.16 86.99 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.914 ' CD2' HD13 ' A' ' 71' ' ' LEU . 28.0 t-80 -63.74 151.2 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.4 p -68.4 -50.41 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD12 ' HE1' ' A' ' 32' ' ' HIS . 41.5 mt -62.73 -26.11 68.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.4 t60 -121.33 25.66 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -41.08 -31.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -39.29 -48.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.94 148.05 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mp0 -81.11 113.84 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -50.54 171.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.31 101.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.6 tp -39.12 104.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -115.31 138.2 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -65.86 122.48 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.24 133.97 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.54 -50.64 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.4 t -150.94 144.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.8 p90 -160.15 -175.28 4.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -124.99 120.97 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.7 t -82.71 119.47 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -86.45 29.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 10.9 tttp -119.64 -54.29 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.5 p -116.62 14.24 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 52.75 51.45 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 22.7 mm-40 -132.66 156.6 46.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HG3' HG13 ' A' ' 47' ' ' VAL . 5.5 tt0 -104.72 123.53 47.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.55 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -91.97 -179.58 41.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 p -155.84 144.17 20.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.161 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.721 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.9 mm 50.58 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.721 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.8 132.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.594 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.0 t -173.82 119.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CD1' HG12 ' A' ' 30' ' ' VAL . 21.0 m-85 -69.25 99.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.5 t60 -102.36 144.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 4.8 t -116.47 119.7 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.49 31.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 12.0 tt0 -135.01 -37.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -134.53 19.79 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.468 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER 37.39 50.48 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 t80 -95.01 122.13 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -107.66 143.91 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.914 HD13 ' CD2' ' A' ' 32' ' ' HIS . 75.2 mt -151.97 178.04 9.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.55 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 17.1 m80 -95.71 149.67 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.705 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.12 -35.17 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -82.41 -38.96 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 45.5 m -60.78 -45.28 94.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.68 -41.0 84.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.7 mt -66.28 -56.22 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -66.76 132.2 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -124.46 96.86 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 6.8 t0 -124.79 153.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 t -120.37 38.68 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -171.0 142.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -132.79 134.6 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.2 m -128.11 153.78 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.42 144.74 8.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -40.18 5.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.4 p -140.43 114.18 8.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.3 p -48.76 149.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.475 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.744 ' CD1' HG21 ' A' ' 59' ' ' ILE . 16.5 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.84 -43.11 13.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 16.9 tt0 -58.17 -31.26 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.69 -33.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.52 35.86 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' GLU . 12.3 mmtp -65.42 -41.14 93.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.72 -30.11 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.9 m0 -49.76 126.04 17.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.53 63.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -76.82 -35.03 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -123.8 120.16 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' HB1' ' A' ' 76' ' ' ALA . 14.5 p -109.66 149.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 36' ' ' GLU . 16.0 tptp -108.56 84.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 71' ' ' LEU . 17.7 t-80 -68.39 166.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -86.85 -46.71 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' N ' HG13 ' A' ' 33' ' ' VAL . 81.6 mt -63.96 -28.89 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 6.0 t60 -117.58 24.57 11.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.8 pt-20 -37.59 -39.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.9 mp0 -34.07 -49.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -138.92 161.61 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -94.41 115.6 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.806 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -53.74 165.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' LEU . 10.8 tt0 -127.91 103.88 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -36.64 102.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.6 m -111.71 135.5 52.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -64.79 123.25 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.49 134.33 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -64.53 -52.03 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG3' ' A' ' 56' ' ' GLU . 22.4 t -152.91 144.78 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.602 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 14.1 p90 -158.03 -175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -126.11 107.46 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 41.8 t -61.62 127.35 31.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.57 33.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 36.1 tttm -127.7 -59.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 32.0 p -103.53 -0.14 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 65.57 49.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.6 mm-40 -126.69 -173.33 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.8 tt0 -131.45 120.35 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.0 177.96 41.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 p -153.04 142.51 21.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.744 HG21 ' CD1' ' A' ' 19' ' ' TYR . 26.7 mm 48.76 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.682 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.4 m95 -177.89 129.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.9 t -170.88 122.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 25.5 m-85 -72.51 98.98 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 81.4 t60 -103.83 149.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 13.9 t -117.52 121.66 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.45 33.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -134.79 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -127.15 -16.54 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.575 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.2 m-20 74.98 46.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 7.3 t80 -96.09 121.94 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 3.0 m-20 -105.35 142.52 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 32' ' ' HIS . 38.8 mt -147.88 178.31 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 6.8 m80 -93.84 151.62 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.615 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.23 -44.22 83.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 22.4 ptmt -75.94 -45.52 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 57.3 m -52.35 -47.26 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.854 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -65.05 -46.74 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.851 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.4 m-85 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.6 -44.49 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 24' ' ' LYS . 11.4 tm-20 -52.83 -35.33 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -73.36 -32.97 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.82 35.32 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 18.3 mmtt -66.83 -41.16 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.39 -29.74 16.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -51.5 126.69 30.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.538 0.685 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.503 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.76 161.32 46.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -80.52 -36.43 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -120.49 133.43 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.049 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -125.97 143.03 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' CA ' ' HG2' ' A' ' 39' ' ' GLU . 17.0 tptm -106.47 86.33 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 34' ' ' LEU . 5.8 t-80 -74.3 158.91 33.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -76.31 -44.61 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 32' ' ' HIS . 17.7 mt -63.88 -27.31 69.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -124.61 29.47 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -43.32 -37.11 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' GLU . 40.6 mm-40 -34.1 -50.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -137.2 164.84 27.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' CA ' ' A' ' 31' ' ' LYS . 29.9 mt-10 -97.42 112.99 24.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.8 171.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' LEU . 13.9 tt0 -135.53 100.79 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.586 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 16.2 tp -34.4 100.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -110.62 139.92 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -65.85 121.68 15.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' ILE . 46.9 t -140.42 135.75 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.63 -49.93 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.0 t -151.01 147.36 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 21.2 p90 -162.86 -175.06 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 m -128.43 105.33 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.8 t -62.93 136.01 57.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -100.81 33.54 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -127.02 -57.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.1 p -104.35 -3.02 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 65.0 mt-10 67.43 45.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 65.7 mm-40 -126.16 170.81 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.5 tt0 -115.27 120.39 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.93 176.82 38.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.603 ' HB ' HD12 ' A' ' 59' ' ' ILE . 80.5 p -152.5 141.5 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.851 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 54.3 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.712 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.74 132.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.6 t -177.71 119.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 31.5 m-85 -68.29 100.07 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t60 -104.65 152.81 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.7 t -123.83 119.94 31.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.17 37.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.05 -36.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 m -128.42 -6.14 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.524 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.7 m-20 67.12 54.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.2 t80 -95.44 172.86 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -159.82 131.79 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.2 mt -142.95 177.96 8.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.0 m80 -94.1 154.95 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.1 -42.2 94.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -77.09 -44.8 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 44.5 m -52.35 -47.65 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 1.049 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -67.72 -53.42 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.503 HD21 ' CD ' ' A' ' 27' ' ' PRO . 5.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.793 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.86 -38.17 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' CD ' ' A' ' 24' ' ' LYS . 34.5 tt0 -65.78 -35.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.14 -32.86 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.93 32.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 10.8 mtpp -60.64 -43.38 97.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.71 -29.52 18.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -51.13 124.44 22.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.563 0.697 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.79 145.71 57.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.41 -38.05 73.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HE3' ' CG ' ' A' ' 41' ' ' GLU . 13.7 mttt -129.99 139.66 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.029 HG11 ' HB1' ' A' ' 76' ' ' ALA . 11.7 p -118.82 155.0 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -108.04 76.42 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.74 ' CD2' HD13 ' A' ' 71' ' ' LEU . 25.4 t-80 -62.09 157.71 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.9 p -81.24 -47.22 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.69 HD12 ' HE1' ' A' ' 32' ' ' HIS . 29.4 mt -62.71 -24.09 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.1 t60 -120.32 25.64 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.0 pt-20 -37.76 -32.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -38.97 -52.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' ND1' ' OE1' ' A' ' 66' ' ' GLU . 1.1 m80 -141.6 160.44 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.9 110.97 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.842 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.1 mm? -50.73 158.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CG ' ' HE3' ' A' ' 29' ' ' LYS . 14.7 tt0 -116.78 113.91 23.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.579 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 18.6 tp -48.24 99.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.5 m -107.31 137.68 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 3.6 mmm180 -69.91 110.21 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.63 136.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.78 -47.43 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 56' ' ' GLU . 13.5 t -152.08 145.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.1 p90 -161.45 -175.06 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 m -128.33 108.19 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.98 130.12 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -95.97 32.44 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 26.0 tttm -124.06 -49.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.8 p -116.5 1.78 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 63.18 48.2 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -128.72 165.95 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -111.87 119.53 38.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -89.08 -177.96 46.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.9 p -157.42 144.11 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 19' ' ' TYR . 36.2 mm 50.65 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.86 134.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.0 t -177.15 116.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.707 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 41.1 m-85 -65.3 99.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 77.8 t60 -103.16 146.45 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.49 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.0 t -118.74 116.66 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.81 35.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' ' ND1' ' A' ' 38' ' ' HIS . 16.6 tt0 -135.06 -35.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.55 -5.1 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 23.6 t70 64.39 48.27 2.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.9 t80 -97.94 126.0 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.04 144.88 39.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.4 mt -150.99 177.35 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -93.89 156.38 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.24 -41.06 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 18.5 ptpt -78.41 -42.45 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.0 m -55.29 -49.85 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 1.029 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -65.53 -43.83 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.52 HD21 ' HD2' ' A' ' 27' ' ' PRO . 17.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.927 0.394 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -46.43 -39.94 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.8 mt -77.94 -33.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.16 35.55 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -62.56 -46.52 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.8 -28.97 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.693 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 22.0 m0 -46.72 127.79 8.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.594 ' CD ' HD21 ' A' ' 77' ' ' LEU . 54.0 Cg_endo -69.76 167.61 23.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.272 . . . . 0.0 112.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -90.76 -34.58 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -125.92 127.01 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.1 p -125.57 142.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -100.06 96.53 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.99 ' CD2' HD13 ' A' ' 71' ' ' LEU . 9.3 t-80 -78.26 147.34 34.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -62.31 -49.91 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.1 mt -61.48 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.0 t60 -119.33 23.78 11.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' HIS . 8.8 pt-20 -34.99 -36.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' HIS . 32.4 mm-40 -40.63 -52.64 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -136.85 168.15 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -102.13 117.38 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -52.55 171.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.3 tt0 -133.31 106.54 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 17.1 tp -35.42 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.0 m -106.88 139.63 40.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -72.49 129.95 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.4 t -149.59 136.84 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.8 -51.68 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.6 t -151.6 147.88 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.6 p90 -162.58 -175.18 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -127.51 104.77 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.2 t -58.92 141.21 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.09 30.56 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -125.91 -53.67 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.0 p -106.77 -4.96 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 3.2 mp0 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 11.5 mm-40 -127.54 -174.02 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.6 tt0 -127.64 119.45 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -88.32 179.91 46.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.42 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' GLY . 23.2 p -157.22 140.5 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.772 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 51.73 25.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.701 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.6 m95 -178.5 136.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.672 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.8 p -177.26 119.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 27.8 m-85 -74.02 98.99 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.59 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 3.5 t60 -108.66 155.07 21.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 20.0 t -118.37 120.77 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 23.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -128.5 -30.51 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASP . 3.5 m -133.05 22.36 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.59 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.5 m-20 35.43 54.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.3 t80 -93.9 171.88 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -161.06 132.86 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.99 HD13 ' CD2' ' A' ' 32' ' ' HIS . 69.9 mt -147.09 178.44 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.5 m80 -91.46 147.12 23.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.693 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -55.75 -38.6 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 32.7 m -53.73 -48.68 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.913 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.594 HD21 ' CD ' ' A' ' 27' ' ' PRO . 16.4 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.795 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.887 0.375 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -49.71 -36.51 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.0 tt0 -61.98 -27.25 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.97 -31.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.78 34.27 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 29.9 mtmt -61.72 -42.89 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -89.61 -30.22 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.658 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -50.17 122.91 15.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.77 158.25 57.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.63 -35.32 45.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -123.29 118.69 28.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 76' ' ' ALA . 10.5 p -118.2 143.52 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 11.0 tttp -101.48 89.09 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.642 ' HE1' HD12 ' A' ' 34' ' ' LEU . 32.1 t-80 -68.61 162.36 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -79.75 -48.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.642 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.2 mt -63.19 -24.62 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 9.0 t60 -121.19 24.51 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -36.07 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.0 mp0 -33.68 -52.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -138.79 170.9 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 31' ' ' LYS . 22.0 mt-10 -99.99 117.13 33.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.784 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -55.19 166.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 24.3 tt0 -128.42 99.89 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.9 tp -35.2 98.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 m -109.46 139.2 44.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -68.05 126.79 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.84 135.08 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.84 -51.65 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 21.1 t -152.5 148.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 19.9 p90 -160.28 179.02 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -125.0 110.77 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 36.1 t -68.7 134.61 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' OD1' ' CE1' ' A' ' 69' ' ' PHE . 6.1 p-10 -96.66 22.91 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 70.2 tttt -116.43 -64.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 25.8 p -96.85 -0.71 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.88 39.42 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 70.5 mm-40 -121.43 166.52 13.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.9 tt0 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.17 -176.22 42.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 57' ' ' GLY . 33.2 p -160.16 142.8 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.165 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.795 HG21 ' CD1' ' A' ' 19' ' ' TYR . 31.8 mm 52.76 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.23 130.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -172.4 111.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.4 m-85 -64.14 99.48 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 42.9 t60 -104.31 149.81 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.479 ' HB2' HD12 ' A' ' 40' ' ' LEU . 38.9 t -112.82 123.49 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.78 28.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 64' ' ' CYS . 26.0 tt0 -133.24 -50.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.9 m -111.54 -15.71 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.498 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 6.3 m-20 70.96 47.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.556 ' HE2' HD11 ' A' ' 71' ' ' LEU . 11.2 t80 -95.59 121.81 37.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -104.01 148.21 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -154.62 178.77 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 11.7 m80 -92.97 152.52 19.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.658 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.48 -44.4 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -75.18 -37.44 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.8 m -59.48 -47.55 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -63.02 -44.28 96.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HD2' ' A' ' 27' ' ' PRO . 34.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.887 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -48.61 -37.32 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.06 -29.26 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.19 -32.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.13 34.78 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -66.46 -40.91 89.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.5 -29.07 16.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.4 m0 -48.08 125.23 11.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.67 69.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.03 -32.65 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -124.37 122.43 37.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.846 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.6 p -117.94 140.47 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -103.09 84.59 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.1 t-80 -69.29 155.5 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -71.88 -49.6 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.2 mt -61.4 -25.8 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 5.9 t60 -120.66 23.35 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLU . 12.4 pt-20 -38.21 -39.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' GLU . 6.4 mp0 -34.67 -46.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 3.7 m80 -142.45 163.55 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -95.17 117.5 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.76 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -55.59 168.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.7 tt0 -131.74 102.5 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -33.33 101.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.4 m -109.05 138.77 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.2 mmm180 -74.55 123.12 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.9 t -142.58 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.08 -50.7 67.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 56' ' ' GLU . 9.0 t -153.1 147.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.7 p90 -162.55 -175.13 4.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.3 m -127.49 109.74 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 44.2 t -63.43 149.35 46.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.2 23.98 13.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 17.3 tttm -122.07 -54.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.7 p -103.49 -2.57 26.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 64.81 31.16 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -110.89 -174.81 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' HG13 ' A' ' 47' ' ' VAL . 6.0 tt0 -125.06 126.19 44.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.79 -179.31 40.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.6 p -157.57 141.93 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.288 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.887 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.4 mm 50.94 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.718 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.8 m95 -178.46 136.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.681 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.6 p -175.73 118.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 26.7 m-85 -70.63 98.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 57.7 t60 -103.32 149.29 24.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 12.8 t -115.24 118.77 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.29 33.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' CYS . 10.4 tt0 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.28 -16.54 6.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.57 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 9.1 t0 74.99 47.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.52 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.3 t80 -97.93 122.26 40.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.51 146.47 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 32' ' ' HIS . 34.6 mt -150.81 178.46 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 9.8 m80 -97.22 152.87 18.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.4 -45.75 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -74.18 -43.64 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.416 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 35.8 m -53.52 -48.6 68.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.846 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -68.6 -40.35 80.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' HG21 ' A' ' 59' ' ' ILE . 23.4 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.65 -37.48 5.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 29.6 tt0 -53.31 -35.82 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mt -75.44 -29.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.31 34.06 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.3 mttt -64.27 -41.31 96.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -91.7 -29.61 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 20.1 m0 -52.26 124.99 32.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.536 0.684 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.615 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.71 170.31 16.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.266 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -86.78 -36.91 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -121.88 120.37 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 ' HB1' ' A' ' 76' ' ' ALA . 12.2 p -110.62 149.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -109.15 97.43 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CD2' HD13 ' A' ' 71' ' ' LEU . 11.5 t-80 -87.82 159.22 18.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -76.97 -45.51 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 33' ' ' VAL . 84.7 mt -62.82 -28.09 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' NE2' ' SG ' ' A' ' 67' ' ' CYS . 5.3 t60 -121.95 28.05 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.1 pt-20 -39.96 -38.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -32.95 -53.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -136.56 169.95 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 26.1 mt-10 -100.75 109.76 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -45.43 171.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 42' ' ' LEU . 16.3 tt0 -134.31 101.44 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.9 tp -33.28 97.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' GLU . 23.2 m -108.82 135.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -63.62 133.53 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -151.26 132.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.4 tt0 -64.26 -50.67 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 56' ' ' GLU . 24.2 t -155.0 144.85 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.8 p90 -157.12 -175.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -126.88 106.5 9.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 33.1 t -60.69 122.56 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.35 27.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -121.51 -64.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.3 p -98.49 1.34 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 64.24 45.76 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 59.3 mm-40 -120.58 -173.17 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.2 tt0 -132.77 117.78 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.85 -179.44 47.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLY . 29.2 p -156.24 137.88 14.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.752 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.3 mm 54.0 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.5 m95 -178.63 133.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.635 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 15.0 t -176.95 113.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 36.2 m-85 -64.27 99.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 47.4 t60 -106.55 149.28 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 65' ' ' ASP . 24.2 t -128.67 74.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -25.0 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 tp10 -39.91 -53.0 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 m -114.57 -2.86 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.1 m-20 62.17 55.05 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.0 t80 -95.59 174.64 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -162.31 128.92 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.0 mt -141.31 178.16 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 4.8 m80 -92.71 150.48 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.605 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.88 -38.82 86.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -80.42 -35.91 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 56.2 m -63.56 -53.11 56.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -57.1 -45.61 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.615 HD21 ' CD ' ' A' ' 27' ' ' PRO . 26.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.697 ' CD1' HG21 ' A' ' 59' ' ' ILE . 10.0 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' LYS . 77.6 m-20 -48.02 -44.96 31.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' NZ ' ' A' ' 24' ' ' LYS . 20.2 tt0 -59.75 -24.28 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.9 -30.52 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -119.54 28.38 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.2 ptpp? -70.82 -26.85 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -96.26 -30.65 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 26' ' ' TRP . 7.4 m0 -58.74 130.33 85.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.563 0.697 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.88 55.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.07 77.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 40' ' ' LEU . 14.9 mmmt -125.29 119.17 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.017 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.5 p -116.29 144.48 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -100.19 77.14 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.798 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.1 t-80 -58.94 159.38 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -78.66 -49.23 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HE1' ' A' ' 32' ' ' HIS . 67.4 mt -63.08 -17.16 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.5 t60 -131.96 28.19 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -41.45 -37.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLU . 24.0 mp0 -34.13 -49.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -138.39 169.4 17.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 28.1 mt-10 -100.53 114.15 27.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.08 171.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 11.1 tt0 -135.32 102.6 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.553 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -33.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -109.72 133.25 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mmm180 -69.04 125.12 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 95.7 t -143.08 136.33 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 58' ' ' THR . 48.6 tp60 -64.5 -50.44 67.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.7 t -154.6 145.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.1 p90 -159.55 -174.96 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 m -129.39 110.93 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 49.0 t -66.82 147.86 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -107.64 25.56 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 66.1 tttt -120.71 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 18.7 p -97.55 -3.49 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 66.09 39.98 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 13.0 mm-40 -119.71 178.57 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.5 tt0 -119.79 122.73 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.22 171.22 33.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 46' ' ' GLN . 5.4 p -149.04 145.35 27.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.73 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 37.7 mm 50.74 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.73 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.3 m95 -178.62 138.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.654 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 9.7 p -177.53 117.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 35.0 m-85 -72.89 98.38 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 38.6 t60 -103.94 151.0 23.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 38.1 t -112.41 123.94 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.7 28.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' CYS . 4.5 tp10 -134.92 -52.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -108.6 -17.24 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.567 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 71.21 50.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 71' ' ' LEU . 18.9 t80 -100.72 122.75 43.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.24 150.98 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.5 mt -154.72 178.62 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.0 m80 -95.51 155.58 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.14 -45.18 79.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -75.15 -38.81 60.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.5 m -59.2 -45.05 92.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 1.017 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.01 -43.16 79.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.751 ' CD1' HG21 ' A' ' 59' ' ' ILE . 15.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.876 0.37 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.59 -38.7 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 8.3 tp10 -59.17 -30.84 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.59 -32.85 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.4 35.56 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 22.9 mttt -61.76 -44.67 96.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.23 -29.84 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.68 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.0 m0 -47.52 124.58 9.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.83 165.0 32.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -87.25 -35.65 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -118.95 129.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 ' HB1' ' A' ' 76' ' ' ALA . 11.6 p -122.07 144.5 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.69 83.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.489 ' CE1' HD12 ' A' ' 34' ' ' LEU . 3.0 t-80 -72.86 161.75 30.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.5 p -81.58 -41.32 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' CE1' ' A' ' 32' ' ' HIS . 26.4 mt -63.87 -27.53 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.5 t60 -120.81 25.74 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 2.4 pp20? -35.14 -40.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' GLU . 31.2 mm-40 -31.61 -51.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -139.37 -179.46 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.22 116.59 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -59.49 165.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -128.18 125.81 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.8 tp -52.04 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -101.42 136.67 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.74 128.93 37.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -149.01 139.13 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 58' ' ' THR . 32.2 tt0 -69.68 -49.55 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 56' ' ' GLU . 7.2 t -151.48 148.73 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 31.6 p90 -165.07 -175.16 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -128.34 106.67 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.1 t -60.86 151.22 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -109.91 27.75 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HD2' ' HE2' ' A' ' 32' ' ' HIS . 29.6 tttp -126.46 -55.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.2 p -100.84 -4.68 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 66.07 30.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -111.14 -177.67 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HG3' HG13 ' A' ' 47' ' ' VAL . 9.0 tt0 -122.48 121.19 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.775 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.6 -170.54 46.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.514 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 57' ' ' GLY . 16.2 p -166.52 142.37 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 19' ' ' TYR . 27.5 mm 49.83 25.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.716 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.03 137.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 31.4 p -178.07 120.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 36.7 m-85 -74.45 98.54 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 13.8 t60 -107.23 151.98 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.572 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.4 t -117.75 118.55 32.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.89 35.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.0 tp10 -135.0 -36.43 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 3.2 m -125.59 -6.61 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 39.8 t0 66.69 54.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 1.9 t80 -95.49 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.58 125.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.6 mt -135.6 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.3 m80 -95.67 148.72 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.68 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -52.22 -39.55 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -79.94 -42.05 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.3 m -54.71 -43.1 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.855 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -69.04 -43.36 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 27' ' ' PRO . 17.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 17.0 m-30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -44.81 -39.86 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.05 -36.78 70.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -72.7 -35.81 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.98 25.04 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.3 ptpt -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 24.9 t0 -86.06 -31.73 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -53.66 128.28 52.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 149.08 66.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.06 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 9.1 mmtp -124.96 121.97 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.821 HG21 ' HB1' ' A' ' 76' ' ' ALA . 13.8 p -116.51 146.92 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 38.4 tttm -108.17 104.24 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.803 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.3 t-80 -89.59 157.42 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.2 p -70.99 -49.48 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 24.1 mt -61.13 -28.08 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' CE1' ' HG ' ' A' ' 67' ' ' CYS . 7.4 t60 -119.33 25.42 10.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -38.66 -39.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -37.45 -48.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -140.87 164.33 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 1.5 mp0 -97.42 131.08 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.641 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.9 mm? -66.56 168.69 8.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -132.26 115.19 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 12.8 tp -40.18 103.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.2 m -111.62 135.78 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' NH1' HG23 ' A' ' 59' ' ' ILE . 5.8 mmm180 -68.89 122.55 18.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 11.5 t -143.1 145.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -77.15 -49.17 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.2 t -154.47 149.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 57' ' ' GLY . 36.3 p90 -161.29 -175.06 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -128.37 104.51 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.0 t -59.05 124.22 19.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -91.56 29.08 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -122.9 -54.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.4 p -107.06 -2.17 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 67.1 47.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 25.8 mm-40 -126.52 -173.61 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.2 tt0 -131.11 117.95 19.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.03 178.89 49.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.3 p -159.95 137.36 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.794 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 42.0 mm 60.84 24.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.794 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.3 m95 175.53 139.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -173.77 120.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 23.0 m-85 -78.12 99.81 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -112.61 151.03 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.431 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 6.3 t -107.26 126.01 51.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -81.61 34.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -134.86 -36.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.466 ' HG ' ' CE1' ' A' ' 35' ' ' HIS . 3.2 m -122.07 -15.58 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.605 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 5.2 t70 75.01 54.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HE2' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -94.94 171.92 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 m-20 -153.86 137.42 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 32' ' ' HIS . 76.8 mt -153.16 177.87 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.2 m80 -92.22 155.58 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.64 -38.74 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -80.56 -38.5 29.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.5 m -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.821 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -64.49 -41.47 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 59' ' ' ILE . 13.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -46.25 -37.74 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.29 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.28 -34.89 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.64 31.19 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.86 -30.68 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.3 m0 -56.13 125.06 62.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 77' ' ' LEU . 54.3 Cg_endo -69.66 150.49 68.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.362 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -70.04 -36.68 75.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 15.2 mmtt -126.19 118.43 25.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.7 p -112.63 154.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 30' ' ' VAL . 3.1 tppp? -110.09 83.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.5 t-80 -62.83 154.61 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -75.38 -48.94 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.7 mt -62.86 -23.04 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 8.6 t60 -121.98 26.51 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -38.53 -37.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.7 mm-40 -35.46 -49.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -139.65 175.49 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -104.77 125.51 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -63.45 168.13 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LEU . 8.9 tt0 -132.46 103.21 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 14.2 tp -35.39 101.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 m -109.19 143.57 38.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.5 mmm180 -78.29 124.03 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 85.7 t -143.8 135.7 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -63.08 -52.0 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.4 t -153.56 146.36 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 16.8 p90 -158.78 -175.01 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -128.63 106.43 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.0 t -59.55 131.85 52.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -96.94 28.69 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -123.63 -57.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -104.14 -1.75 26.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 65.83 51.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 18.5 mm-40 -127.31 -173.35 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 47' ' ' VAL . 16.4 tt0 -132.09 115.56 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -87.1 179.28 48.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -155.07 145.65 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.685 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.1 mm 48.51 24.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.8 m95 -178.7 138.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.659 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.1 p -176.6 117.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 40' ' ' LEU . 15.8 m-85 -70.16 99.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 41.7 t60 -104.66 151.06 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.53 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.8 t -119.42 122.44 41.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.17 30.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.6 tp10 -134.97 -36.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -135.01 19.87 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 7.4 p-10 35.57 52.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 7.6 t80 -97.95 115.44 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 2.8 m-20 -102.27 143.24 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.818 HD13 ' CD2' ' A' ' 32' ' ' HIS . 46.9 mt -149.75 177.92 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.7 m80 -92.2 141.81 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.691 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.8 -39.14 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -79.19 -39.76 32.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 16.6 m -57.25 -49.31 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.37 -41.99 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 73' ' ' ALA . 6.5 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.742 ' CD1' HG21 ' A' ' 59' ' ' ILE . 18.4 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -48.58 -38.26 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 57.2 tt0 -57.26 -31.24 65.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.52 -30.49 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.82 34.04 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 24.1 mttm -60.06 -45.79 91.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.41 -29.52 19.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -48.56 123.97 11.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.894 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 165.12 32.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.04 -35.61 20.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 12.3 mmtm -123.25 118.8 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.8 p -122.99 144.53 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -105.04 103.13 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.2 t-80 -79.85 159.34 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 34' ' ' LEU . 6.3 p -70.26 -49.46 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' N ' HG13 ' A' ' 33' ' ' VAL . 88.8 mt -63.98 -23.45 67.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 7.6 t60 -123.54 22.94 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' HIS . 17.3 pt-20 -38.91 -33.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -39.12 -51.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -134.8 171.61 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.42 124.29 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.759 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -61.07 169.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.6 tt0 -132.96 95.68 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.7 tp -32.34 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.6 m -113.34 139.59 48.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.8 mmm180 -71.08 127.22 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 t -143.47 143.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.8 tp-100 -69.68 -49.2 55.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 46' ' ' GLN . 16.0 t -156.34 145.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' ' OG ' ' A' ' 61' ' ' SER . 27.9 p90 -157.45 -174.98 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.3 m -129.96 114.62 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 38.5 t -73.19 129.53 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.8 25.18 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 46.8 tttm -118.58 -67.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 24.6 p -95.32 5.0 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 58.22 40.05 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -120.95 169.13 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.3 tt0 -113.86 125.69 54.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' THR . . . -93.48 -177.71 39.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 57' ' ' GLY . 18.2 p -160.84 140.48 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.697 0.284 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 57.06 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.735 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 178.09 132.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -171.95 116.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.673 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 28.0 m-85 -72.88 99.43 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 8.2 t60 -105.46 152.25 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 66' ' ' GLU . 27.3 t -110.23 128.55 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 17.9 t0 -81.51 30.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.94 -53.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.3 m -107.98 -18.57 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 10.8 t0 75.0 45.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 71' ' ' LEU . 22.0 t80 -95.16 121.88 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.08 153.74 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.6 mt -158.57 178.85 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 14.7 m80 -94.86 155.49 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.593 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.58 -45.49 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.54 -36.6 65.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.412 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 55.3 m -63.33 -43.84 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.637 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.58 -41.62 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.894 HD21 ' HD2' ' A' ' 27' ' ' PRO . 80.3 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.694 ' CD1' HG21 ' A' ' 59' ' ' ILE . 24.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' LYS . 30.9 m-20 -44.25 -43.52 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.77 -37.69 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.422 HG22 ' CH2' ' A' ' 26' ' ' TRP . 65.0 mt -71.63 -32.09 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.18 26.48 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASP . 13.7 ptpt -64.36 -34.51 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.51 -30.46 13.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.542 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.9 m0 -53.54 126.38 47.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.571 0.701 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.76 63.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -69.7 -36.32 75.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -123.87 119.68 30.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.826 HG11 ' HB1' ' A' ' 76' ' ' ALA . 14.8 p -115.73 149.69 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -104.58 81.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.3 t-80 -62.89 151.55 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.39 -49.07 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.584 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.4 mt -61.89 -26.52 68.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.9 t60 -119.28 27.41 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.3 pt-20 -37.82 -38.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 43.2 mp0 -34.96 -51.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.27 174.17 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 31.7 mt-10 -106.92 117.36 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.2 mm? -57.46 167.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' LEU . 38.4 tt0 -130.18 108.64 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 13.8 tp -37.33 103.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.5 m -111.43 142.74 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.4 mmm180 -76.76 125.5 29.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.94 137.94 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.21 -51.5 57.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.0 t -151.45 148.13 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.677 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 25.3 p90 -162.14 -175.06 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.8 m -127.47 108.92 11.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.04 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -107.08 31.73 5.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 21.5 tttm -126.51 -56.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -105.83 -4.1 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 42.5 mt-10 69.08 43.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.52 167.4 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG3' HG13 ' A' ' 47' ' ' VAL . 7.7 tt0 -109.35 127.22 54.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -95.72 -178.17 36.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 57' ' ' GLY . 28.1 p -158.5 143.91 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 35.2 mm 50.92 24.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.1 m95 -179.28 137.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.677 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.5 p -177.7 116.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.2 m-85 -69.51 98.42 1.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 53.3 t60 -103.12 144.64 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.521 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 t -112.64 121.07 43.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.54 30.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' CYS . 9.8 tt0 -134.97 -35.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.8 m -134.97 19.55 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.573 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 25.4 t0 36.86 49.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 10.1 t80 -96.49 118.55 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -103.28 149.24 24.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 32' ' ' HIS . 39.1 mt -153.17 178.59 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -94.22 156.99 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.07 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -76.85 -41.9 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.41 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 41.5 m -54.52 -49.08 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.826 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.63 -46.59 81.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.721 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.9 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -41.11 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 18.8 tt0 -56.59 -36.13 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.78 -33.37 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.72 34.93 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 8.3 mtpp -63.44 -46.11 87.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.0 -29.78 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.545 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 13.9 m0 -53.16 124.81 39.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.531 0.681 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.96 36.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -82.83 -35.69 26.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -126.08 118.2 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.844 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.9 p -116.21 143.5 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -102.26 87.36 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.856 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.9 t-80 -66.25 150.27 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.583 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -69.8 -49.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD12 ' HE1' ' A' ' 32' ' ' HIS . 33.2 mt -63.32 -18.67 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 8.5 t60 -130.7 25.14 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' HIS . 15.0 pt-20 -39.76 -36.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mp0 -33.52 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 8.1 m80 -141.77 164.95 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 47.0 mt-10 -99.07 114.35 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 64' ' ' CYS . 3.0 mm? -52.06 171.69 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' LEU . 9.4 tt0 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.6 tp -26.84 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -109.48 140.21 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -73.55 128.47 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 69.9 t -147.65 141.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -71.04 -50.27 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 56' ' ' GLU . 11.8 t -153.16 147.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 26.6 p90 -162.58 -175.04 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -127.44 108.75 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.1 t -63.43 123.52 18.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -87.36 32.27 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.597 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.6 ttpt -126.41 -64.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -98.21 1.77 47.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 62.95 49.44 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.49 -173.09 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -131.58 119.48 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -90.57 179.21 43.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.4 p -155.52 142.83 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 21.7 mm 51.44 25.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.732 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 6.3 m95 -179.5 136.9 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.9 p -174.6 126.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 24.7 m-85 -79.34 97.88 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 58.5 t60 -102.85 154.08 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.3 t -121.45 119.43 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 16.6 t0 -77.89 33.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' CYS . 19.1 tt0 -134.84 -37.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.72 -6.06 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 16.6 t70 63.82 54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 9.3 t80 -105.03 118.43 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 15.1 m-20 -102.37 145.45 29.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -149.55 178.48 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.3 m80 -93.04 150.62 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.74 -41.19 81.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -78.55 -40.57 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 28.4 m -55.92 -47.4 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.844 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.23 -41.53 85.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CG ' HG21 ' A' ' 59' ' ' ILE . 21.3 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -48.47 -35.22 12.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 22.3 tp10 -58.32 -31.71 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.27 -31.52 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.2 30.13 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.6 mttm -62.07 -46.81 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.31 -26.69 24.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.585 ' CZ3' ' HB1' ' A' ' 73' ' ' ALA . 25.0 m0 -57.04 125.97 71.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.77 7.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -92.24 -36.1 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -122.16 128.49 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.924 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -126.32 143.68 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -107.19 104.25 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLU . 21.9 t-80 -90.74 143.52 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -51.42 -49.92 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 33' ' ' VAL . 53.6 mt -62.35 -23.34 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.8 t60 -120.46 24.94 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 13.0 pt-20 -40.23 -35.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -40.62 -51.28 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -137.12 -175.81 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -113.71 114.89 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.04 172.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 18.2 tt0 -134.85 103.95 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD13 ' CE2' ' A' ' 62' ' ' TYR . 17.6 tp -34.16 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 21.9 m -103.26 138.79 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -74.05 130.46 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 81.9 t -150.45 137.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -67.57 -49.13 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.13 146.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.673 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 28.3 p90 -161.41 -175.27 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -126.83 106.29 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.7 t -60.25 130.18 45.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.49 30.08 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 29.6 tttt -124.05 -61.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.4 p -101.39 -0.15 35.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 60.7 mt-10 65.09 50.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 19.7 mm-40 -126.96 -172.99 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.95 118.03 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' THR . . . -88.73 -178.06 46.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.7 p -158.98 139.56 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 111.141 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.707 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.6 mm 54.39 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.707 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.66 137.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.673 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.5 p -177.53 116.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.792 ' CE2' HD13 ' A' ' 42' ' ' LEU . 35.0 m-85 -73.34 98.43 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.3 OUTLIER -110.32 158.0 18.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.668 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 41.7 t -119.14 115.04 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -66.81 4.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.9 tt0 -112.32 -27.32 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASP . 21.7 m -130.96 18.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.623 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 m-20 34.29 54.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.5 t80 -94.19 172.16 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -159.72 121.29 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 52' ' ' LYS . 13.5 mt -135.11 177.74 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 3.5 m80 -91.92 150.01 21.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.585 ' HB1' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.24 -36.08 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 7.5 ptmt -84.81 -43.69 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.422 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 98.3 m -57.67 -51.84 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.924 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -54.63 -51.66 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.5 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -48.14 -34.08 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 12.7 tt0 -70.14 -29.56 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.0 mt -75.5 -33.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -101.22 31.73 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 21.0 mttt -60.49 -42.88 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -88.62 -27.23 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.1 m0 -57.97 124.88 71.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.79 178.01 5.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.1 -32.22 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -127.98 119.19 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.885 HG11 ' HB1' ' A' ' 76' ' ' ALA . 8.4 p -111.87 151.44 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -109.03 89.71 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.868 ' CD2' HD13 ' A' ' 71' ' ' LEU . 15.5 t-80 -72.62 155.45 40.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.78 -50.37 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 33' ' ' VAL . 22.6 mt -63.88 -24.79 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.8 t60 -122.38 27.98 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.68 -37.07 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 4.6 tt0 -37.32 -35.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -147.28 173.04 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -57.37 174.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.8 tt0 -135.07 103.98 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 17.1 tp -33.81 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.4 m -102.48 141.54 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -74.88 132.43 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.0 t -153.03 138.62 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.73 -49.68 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.7 t -152.15 147.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 27.4 p90 -163.33 -175.12 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -127.44 107.26 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.0 t -62.19 147.11 48.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.16 30.42 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 11.7 tttp -126.81 -55.09 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 27.2 p -106.32 -1.25 23.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 45.9 mt-10 64.88 42.56 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 31.8 mm-40 -121.66 174.65 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.6 tt0 -117.43 122.86 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.88 177.51 38.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -155.1 140.4 17.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 53.86 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.683 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 -178.71 135.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.661 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.0 p -177.65 118.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.6 m-85 -70.96 99.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 69.2 t60 -102.91 149.61 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 40' ' ' LEU . 15.8 t -115.83 123.8 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.34 32.84 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -135.01 -38.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 1.4 m -127.13 -16.69 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 74.97 48.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.2 t80 -95.91 118.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -104.55 140.21 38.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.868 HD13 ' CD2' ' A' ' 32' ' ' HIS . 72.4 mt -146.45 178.09 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.3 m80 -93.74 154.56 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -58.97 -37.65 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 10.3 ptpp? -81.19 -41.29 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.8 m -56.55 -43.55 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.885 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.69 -52.72 41.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.851 HD21 ' HD2' ' A' ' 27' ' ' PRO . 48.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CG ' HG21 ' A' ' 59' ' ' ILE . 12.0 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -46.04 -38.05 7.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 30.2 tt0 -62.62 -32.9 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.7 mt -71.77 -30.87 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.59 33.77 3.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' GLU . 7.0 mtpp -61.8 -44.09 97.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -88.64 -30.88 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -48.96 124.4 12.9 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 162.25 42.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -82.42 -35.76 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.8 mmmm -125.12 118.5 26.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -117.39 149.04 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -110.18 97.14 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 71' ' ' LEU . 27.5 t-80 -76.68 161.23 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.5 p -74.8 -50.34 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.3 mt -61.49 -26.7 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 5.7 t60 -120.6 26.6 9.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -40.8 -38.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.9 mm-40 -33.39 -48.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -140.95 173.89 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -103.51 132.61 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? -71.3 168.14 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.2 tt0 -130.4 105.29 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.678 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.2 tp -36.67 101.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 m -112.74 136.26 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mmm180 -70.45 128.91 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.97 139.17 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 47' ' ' VAL . 7.6 tp60 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLN . 12.4 t -156.67 148.29 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -159.02 -175.07 5.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -129.52 106.36 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.8 t -62.76 122.87 16.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.16 30.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 33.3 tttt -121.87 -58.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -106.2 2.15 26.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 39.0 mt-10 64.03 47.78 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.4 mm-40 -128.25 171.13 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.8 tt0 -117.58 123.24 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.81 -177.67 40.96 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.4 p -160.27 138.9 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.725 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.1 mm 57.7 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.725 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.91 134.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -171.99 117.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.678 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 25.6 m-85 -75.32 100.45 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 6.2 t60 -104.43 151.33 23.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.8 t -113.37 125.14 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -80.89 32.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -134.88 -38.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 1.8 m -128.65 -7.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.4 m-20 64.74 46.9 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 10.5 t80 -95.29 122.58 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.21 151.47 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' A' ' 32' ' ' HIS . 17.9 mt -156.38 178.22 10.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -95.06 150.63 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.584 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -54.9 -40.65 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 12.3 ptpt -79.93 -37.39 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 56.6 m -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.966 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.14 -45.61 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 17.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.44 -38.71 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.8 tt0 -58.61 -32.45 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.6 mt -77.16 -33.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -104.62 36.2 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 6.8 mtmp? -64.41 -43.87 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -90.64 -29.5 17.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.535 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 17.2 m0 -50.21 124.12 17.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.569 0.7 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.525 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.75 177.02 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -94.87 -35.97 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.37 127.69 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.3 p -123.09 143.69 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 83.94 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.875 ' CD2' HD13 ' A' ' 71' ' ' LEU . 19.5 t-80 -67.19 148.95 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 34' ' ' LEU . 2.7 p -69.36 -47.74 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD12 ' HE1' ' A' ' 32' ' ' HIS . 76.1 mt -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 7.7 t60 -118.8 25.56 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.4 pt-20 -36.48 -38.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -34.12 -55.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -134.66 179.61 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 18.3 mt-10 -110.86 115.33 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.3 mm? -54.41 170.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.03 106.04 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 62' ' ' TYR . 15.1 tp -40.03 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 m -110.1 139.99 44.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 4.1 mmm180 -66.77 117.4 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.16 132.56 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -63.79 -54.97 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 23.8 t -149.66 146.79 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.646 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.6 p90 -160.37 -178.29 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -123.48 105.31 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 42.6 t -60.87 119.73 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 16.0 t0 -86.68 31.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -124.09 -56.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.2 p -107.84 2.26 23.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 15.9 mm-40 64.13 47.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 40.6 mm-40 -125.01 -174.01 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.5 tt0 -131.23 119.12 21.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 58' ' ' THR . . . -87.45 -173.75 48.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.6 p -161.97 144.4 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 30.6 mm 46.32 24.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.684 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.0 m95 -178.71 131.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.646 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 8.5 t -174.67 120.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 42' ' ' LEU . 23.9 m-85 -70.46 98.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.0 t60 -101.69 142.43 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.566 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.7 t -112.1 120.66 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.06 30.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 64' ' ' CYS . 1.3 tp10 -134.99 -34.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -135.02 21.97 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.522 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 13.0 m-20 35.43 46.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 8.4 t80 -94.86 126.75 40.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -112.85 149.81 32.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.875 HD13 ' CD2' ' A' ' 32' ' ' HIS . 47.0 mt -152.95 177.77 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -94.15 149.69 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.66 -42.9 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.48 -39.47 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.3 m -58.95 -46.55 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.17 -46.13 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 27' ' ' PRO . 14.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' HG21 ' A' ' 59' ' ' ILE . 9.0 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.918 0.39 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.07 -35.42 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.2 tp10 -67.17 -22.97 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.44 -28.77 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -106.68 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 32.8 mttt -62.52 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.64 -30.35 19.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.62 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.7 m0 -49.04 126.32 14.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 154.04 68.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -77.23 -34.16 56.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.37 120.62 30.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -113.58 140.41 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -96.71 86.64 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.986 ' CD2' HD13 ' A' ' 71' ' ' LEU . 8.7 t-80 -73.6 141.69 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -61.17 -47.44 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 33' ' ' VAL . 33.3 mt -62.01 -27.05 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.6 t60 -116.88 23.48 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.7 tt0 -30.22 -50.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' GLU . 18.3 mp0 -29.6 -61.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -132.76 156.73 46.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.04 120.84 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? -56.34 166.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -125.54 127.43 46.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 15.2 tp -53.98 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 m -100.74 134.91 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -70.25 126.21 28.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 88.0 t -145.97 137.77 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 58' ' ' THR . 56.3 tp60 -70.65 -48.57 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -151.36 146.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 36.6 p90 -163.6 -175.32 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -127.78 104.78 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.5 t -59.37 129.43 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.13 27.22 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 25.8 tttm -120.19 -54.57 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.8 p -110.8 2.32 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 63.32 50.51 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.0 mm-40 -124.8 -173.11 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.19 115.45 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -86.4 -178.67 49.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 57' ' ' GLY . 24.3 p -158.29 137.33 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.745 HG21 ' CG ' ' A' ' 19' ' ' TYR . 25.2 mm 54.73 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.5 m95 -179.56 137.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.691 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 3.2 p -179.13 121.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.634 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 35.2 m-85 -76.5 98.88 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -111.53 158.0 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.643 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 43.0 t -119.05 114.6 22.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.13 2.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 64' ' ' CYS . 15.2 tt0 -108.16 -25.65 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.6 m -134.95 24.38 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.597 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.1 p-10 31.5 55.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' ASP . 1.1 t80 -94.3 172.8 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 4.5 m-20 -162.27 129.21 3.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.986 HD13 ' CD2' ' A' ' 32' ' ' HIS . 97.4 mt -144.3 177.77 8.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.4 m80 -91.41 150.52 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.26 -29.74 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -87.92 -41.96 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.46 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 33.9 m -56.01 -49.63 73.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -61.77 -43.86 98.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' ALA . 15.9 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.94 -39.14 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.7 tt0 -55.36 -32.04 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.7 -31.83 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -104.82 33.82 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 13.0 mttt -61.81 -42.52 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.21 -30.85 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.705 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.3 m0 -51.72 124.93 28.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.66 63.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -61.47 -38.41 87.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -132.59 129.22 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.865 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.9 p -119.6 151.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HE3' ' CD ' ' A' ' 39' ' ' GLU . 5.1 ttmt -104.16 86.99 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.914 ' CD2' HD13 ' A' ' 71' ' ' LEU . 28.0 t-80 -63.74 151.2 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.4 p -68.4 -50.41 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD12 ' HE1' ' A' ' 32' ' ' HIS . 41.5 mt -62.73 -26.11 68.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.4 t60 -121.33 25.66 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -41.08 -31.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -39.29 -48.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.94 148.05 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mp0 -81.11 113.84 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -50.54 171.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.31 101.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.6 tp -39.12 104.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -115.31 138.2 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -65.86 122.48 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.24 133.97 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.54 -50.64 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.4 t -150.94 144.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.8 p90 -160.15 -175.28 4.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -124.99 120.97 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.7 t -82.71 119.47 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -86.45 29.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 10.9 tttp -119.64 -54.29 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.5 p -116.62 14.24 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 52.75 51.45 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 22.7 mm-40 -132.66 156.6 46.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HG3' HG13 ' A' ' 47' ' ' VAL . 5.5 tt0 -104.72 123.53 47.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.97 -179.58 41.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 p -155.84 144.17 20.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.161 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.721 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.9 mm 50.58 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.721 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.8 132.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.594 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.0 t -173.82 119.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CD1' HG12 ' A' ' 30' ' ' VAL . 21.0 m-85 -69.25 99.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.5 t60 -102.36 144.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 4.8 t -116.47 119.7 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.49 31.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 12.0 tt0 -135.01 -37.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -134.53 19.79 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.468 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER 37.39 50.48 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 t80 -95.01 122.13 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -107.66 143.91 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.914 HD13 ' CD2' ' A' ' 32' ' ' HIS . 75.2 mt -151.97 178.04 9.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.1 m80 -95.71 149.67 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.705 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.12 -35.17 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -82.41 -38.96 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' CYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 45.5 m -60.78 -45.28 94.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.68 -41.0 84.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.7 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -165.73 121.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 p -136.52 158.83 43.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 169.61 14.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -145.35 165.2 29.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 m -91.89 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.49 161.98 15.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.16 168.83 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.726 0.298 . . . . 0.0 111.159 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.53 178.39 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 66.62 28.8 9.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.4 mmm-85 -128.5 42.51 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' H ' HD12 ' A' ' 12' ' ' LEU . 3.7 mp -83.63 93.39 7.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 -52.23 4.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.39 -49.31 56.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 HG22 ' CE2' ' A' ' 19' ' ' TYR . 49.9 mm -45.02 -56.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -45.04 -50.18 10.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.61 -43.22 35.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -55.74 -57.25 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.744 ' CD1' HG21 ' A' ' 59' ' ' ILE . 16.5 m-85 -52.06 -50.21 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.84 -43.11 13.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 24' ' ' LYS . 16.9 tt0 -58.17 -31.26 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.6 mt -76.69 -33.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.52 35.86 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' GLU . 12.3 mmtp -65.42 -41.14 93.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.72 -30.11 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.615 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.9 m0 -49.76 126.04 17.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.53 63.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -76.82 -35.03 57.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -123.8 120.16 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.854 HG21 ' HB1' ' A' ' 76' ' ' ALA . 14.5 p -109.66 149.68 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 36' ' ' GLU . 16.0 tptp -108.56 84.8 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 71' ' ' LEU . 17.7 t-80 -68.39 166.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -86.85 -46.71 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' N ' HG13 ' A' ' 33' ' ' VAL . 81.6 mt -63.96 -28.89 70.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 6.0 t60 -117.58 24.57 11.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.8 pt-20 -37.59 -39.37 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.9 mp0 -34.07 -49.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -138.92 161.61 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -94.41 115.6 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.806 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -53.74 165.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 42' ' ' LEU . 10.8 tt0 -127.91 103.88 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -36.64 102.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.6 m -111.71 135.5 52.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -64.79 123.25 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -142.49 134.33 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -64.53 -52.03 59.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' HG3' ' A' ' 56' ' ' GLU . 22.4 t -152.91 144.78 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.602 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 14.1 p90 -158.03 -175.63 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 m -126.11 107.46 10.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 41.8 t -61.62 127.35 31.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -93.57 33.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 36.1 tttm -127.7 -59.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 32.0 p -103.53 -0.14 30.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 65.57 49.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 4.6 mm-40 -126.69 -173.33 2.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.8 tt0 -131.45 120.35 22.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -91.0 177.96 41.81 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.4 p -153.04 142.51 21.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 111.142 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.744 HG21 ' CD1' ' A' ' 19' ' ' TYR . 26.7 mm 48.76 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.682 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.4 m95 -177.89 129.5 0.14 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.602 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.9 t -170.88 122.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.635 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 25.5 m-85 -72.51 98.98 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 81.4 t60 -103.83 149.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 13.9 t -117.52 121.66 41.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -79.45 33.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -134.79 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 m -127.15 -16.54 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.575 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.2 m-20 74.98 46.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 7.3 t80 -96.09 121.94 38.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.406 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 3.0 m-20 -105.35 142.52 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 32' ' ' HIS . 38.8 mt -147.88 178.31 8.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 6.8 m80 -93.84 151.62 19.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.615 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.23 -44.22 83.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 22.4 ptmt -75.94 -45.52 34.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 57.3 m -52.35 -47.26 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.854 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -65.05 -46.74 79.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.69 -53.4 52.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 75' ' ' CYS . 1.3 p30 -75.05 169.98 16.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -118.72 -64.48 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.49 89.65 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.7 t -129.87 40.59 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -51.66 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.74 -61.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.4 m -99.17 176.98 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -143.09 -163.28 9.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 111.88 2.93 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 t -147.19 139.7 24.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -116.48 117.84 31.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.521 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -113.25 42.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t 54.22 42.18 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.75 -90.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 69.36 41.7 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 p -97.22 148.58 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.75 -151.55 2.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -129.36 -43.29 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.142 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -129.1 136.02 49.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 11' ' ' ARG . 5.7 mp0 -82.04 -65.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' HD3' ' HB3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -148.77 156.65 42.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 mt -109.63 40.79 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -54.32 -59.99 3.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' OE2' ' HB2' ' A' ' 18' ' ' LYS . 1.9 tm-20 -79.65 -48.08 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.2 mm -37.49 -54.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -49.68 -47.56 50.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.38 93.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' OE2' ' A' ' 14' ' ' GLU . 22.4 ttpt -53.59 -49.9 66.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.851 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.4 m-85 -47.97 -52.36 20.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.6 -44.49 8.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 24' ' ' LYS . 11.4 tm-20 -52.83 -35.33 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -73.36 -32.97 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.82 35.32 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 21' ' ' GLU . 18.3 mmtt -66.83 -41.16 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.39 -29.74 16.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -51.5 126.69 30.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.538 0.685 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.503 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.76 161.32 46.38 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -80.52 -36.43 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -120.49 133.43 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.049 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -125.97 143.03 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' CA ' ' HG2' ' A' ' 39' ' ' GLU . 17.0 tptm -106.47 86.33 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.579 ' CE1' HD12 ' A' ' 34' ' ' LEU . 5.8 t-80 -74.3 158.91 33.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -76.31 -44.61 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 32' ' ' HIS . 17.7 mt -63.88 -27.31 69.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -124.61 29.47 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -43.32 -37.11 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' GLU . 40.6 mm-40 -34.1 -50.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -137.2 164.84 27.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HG2' ' CA ' ' A' ' 31' ' ' LYS . 29.9 mt-10 -97.42 112.99 24.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.804 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.8 171.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' LEU . 13.9 tt0 -135.53 100.79 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.586 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 16.2 tp -34.4 100.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.4 m -110.62 139.92 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -65.85 121.68 15.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' ILE . 46.9 t -140.42 135.75 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -69.63 -49.93 49.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 56' ' ' GLU . 18.0 t -151.01 147.36 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 21.2 p90 -162.86 -175.06 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 m -128.43 105.33 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 53.8 t -62.93 136.01 57.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -100.81 33.54 2.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -127.02 -57.69 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.1 p -104.35 -3.02 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 65.0 mt-10 67.43 45.68 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 65.7 mm-40 -126.16 170.81 11.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.5 tt0 -115.27 120.39 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.51 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.93 176.82 38.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.603 ' HB ' HD12 ' A' ' 59' ' ' ILE . 80.5 p -152.5 141.5 21.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.851 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 54.3 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.712 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.74 132.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.584 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.6 t -177.71 119.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 31.5 m-85 -68.29 100.07 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 85.1 t60 -104.65 152.81 22.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.495 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.7 t -123.83 119.94 31.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -79.17 37.61 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -135.05 -36.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 m -128.42 -6.14 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.524 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.7 m-20 67.12 54.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.2 t80 -95.44 172.86 7.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -159.82 131.79 6.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.2 mt -142.95 177.96 8.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.0 m80 -94.1 154.95 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.1 -42.2 94.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -77.09 -44.8 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 44.5 m -52.35 -47.65 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.049 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -67.72 -53.42 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD21 ' CD ' ' A' ' 27' ' ' PRO . 5.9 mt -47.94 -43.78 29.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -93.99 129.52 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -128.58 43.57 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.36 42.44 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.7 p -140.93 126.95 19.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 -40.72 7.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -48.47 137.41 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.0 p -149.22 130.29 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.62 129.09 9.24 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.466 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -63.06 115.49 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.1 p -97.8 117.83 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.515 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -116.96 81.94 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -160.42 143.41 13.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.29 -142.84 4.87 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -151.25 175.96 11.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -87.14 152.3 22.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.919 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.16 -124.52 7.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -139.06 154.64 48.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -92.54 159.71 15.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -98.27 -65.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -124.92 97.54 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.778 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -41.08 101.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -95.1 -67.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ILE . 5.9 tt0 -67.09 -51.76 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLU . 50.1 mm -35.4 -48.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 32.6 mt-10 -55.18 -48.73 73.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -49.54 -40.33 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.54 -48.62 71.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.793 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.4 m-85 -53.52 -48.17 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -47.86 -38.17 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' CD ' ' A' ' 24' ' ' LYS . 34.5 tt0 -65.78 -35.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.6 mt -69.14 -32.86 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.93 32.94 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' CD ' ' HA ' ' A' ' 21' ' ' GLU . 10.8 mtpp -60.64 -43.38 97.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -89.71 -29.52 18.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.623 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -51.13 124.44 22.01 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.563 0.697 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.79 145.71 57.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -57.41 -38.05 73.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' HE3' ' CG ' ' A' ' 41' ' ' GLU . 13.7 mttt -129.99 139.66 51.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.029 HG11 ' HB1' ' A' ' 76' ' ' ALA . 11.7 p -118.82 155.0 21.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -108.04 76.42 1.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.74 ' CD2' HD13 ' A' ' 71' ' ' LEU . 25.4 t-80 -62.09 157.71 18.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.9 p -81.24 -47.22 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.69 HD12 ' HE1' ' A' ' 32' ' ' HIS . 29.4 mt -62.71 -24.09 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.1 t60 -120.32 25.64 9.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.0 pt-20 -37.76 -32.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -38.97 -52.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' ND1' ' OE1' ' A' ' 66' ' ' GLU . 1.1 m80 -141.6 160.44 40.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -88.9 110.97 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.842 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.1 mm? -50.73 158.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' CG ' ' HE3' ' A' ' 29' ' ' LYS . 14.7 tt0 -116.78 113.91 23.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.579 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 18.6 tp -48.24 99.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.5 m -107.31 137.68 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 3.6 mmm180 -69.91 110.21 4.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.4 t -127.63 136.52 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.78 -47.43 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 56' ' ' GLU . 13.5 t -152.08 145.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.1 p90 -161.45 -175.06 4.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.8 m -128.33 108.19 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.3 t -67.98 130.12 41.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -95.97 32.44 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 26.0 tttm -124.06 -49.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.8 p -116.5 1.78 12.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 63.18 48.2 3.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -128.72 165.95 19.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -111.87 119.53 38.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -89.08 -177.96 46.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.9 p -157.42 144.11 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 111.131 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.793 HG21 ' CD1' ' A' ' 19' ' ' TYR . 36.2 mm 50.65 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.86 134.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 5.0 t -177.15 116.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.853 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.707 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 41.1 m-85 -65.3 99.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 77.8 t60 -103.16 146.45 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.49 ' HB2' HD12 ' A' ' 40' ' ' LEU . 10.0 t -118.74 116.66 27.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.81 35.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' OE1' ' ND1' ' A' ' 38' ' ' HIS . 16.6 tt0 -135.06 -35.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 m -131.55 -5.1 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 23.6 t70 64.39 48.27 2.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.9 t80 -97.94 126.0 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.04 144.88 39.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.74 HD13 ' CD2' ' A' ' 32' ' ' HIS . 57.4 mt -150.99 177.35 10.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.438 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 9.4 m80 -93.89 156.38 16.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.24 -41.06 98.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 18.5 ptpt -78.41 -42.45 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.0 m -55.29 -49.85 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.029 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -65.53 -43.83 88.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.52 HD21 ' HD2' ' A' ' 27' ' ' PRO . 17.3 mt -57.95 -47.72 82.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -104.06 118.01 35.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 80' ' ' ASP . 5.3 pm0 -87.96 -37.01 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HG2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -116.7 137.11 52.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.7 p -134.99 161.79 34.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -49.77 -41.44 44.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -161.25 142.32 11.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 t -70.02 173.89 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.33 165.59 26.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.8 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 86' ' ' PRO . 3.2 t 33.72 42.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 t -60.69 -55.17 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 m -139.44 151.44 46.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.0 p -137.28 175.15 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.75 -153.96 11.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t -162.28 161.22 27.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -126.76 121.31 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.83 100.59 2.69 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 p -111.09 164.05 13.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.78 7.39 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.97 -44.3 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -116.09 103.9 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -124.94 23.44 7.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -52.36 19.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' ILE . 13.7 tt0 -76.37 -52.01 10.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' GLU . 41.0 mm -36.77 -42.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.28 -57.24 13.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.98 -44.17 30.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -50.14 -40.89 47.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 -62.35 -45.69 92.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -46.43 -39.94 11.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -53.7 -33.78 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.8 mt -77.94 -33.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.16 35.55 3.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -62.56 -46.52 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.8 -28.97 18.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.693 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 22.0 m0 -46.72 127.79 8.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.594 ' CD ' HD21 ' A' ' 77' ' ' LEU . 54.0 Cg_endo -69.76 167.61 23.95 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.709 2.272 . . . . 0.0 112.29 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -90.76 -34.58 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.7 mmtm -125.92 127.01 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.913 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.1 p -125.57 142.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -100.06 96.53 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.99 ' CD2' HD13 ' A' ' 71' ' ' LEU . 9.3 t-80 -78.26 147.34 34.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.564 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -62.31 -49.91 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.1 mt -61.48 -25.46 67.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.0 t60 -119.33 23.78 11.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 32' ' ' HIS . 8.8 pt-20 -34.99 -36.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 35' ' ' HIS . 32.4 mm-40 -40.63 -52.64 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -136.85 168.15 20.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -102.13 117.38 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -52.55 171.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.3 tt0 -133.31 106.54 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.607 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 17.1 tp -35.42 97.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.0 m -106.88 139.63 40.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -72.49 129.95 39.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.4 t -149.59 136.84 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.8 -51.68 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.6 t -151.6 147.88 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.672 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.6 p90 -162.58 -175.18 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -127.51 104.77 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.2 t -58.92 141.21 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -106.09 30.56 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -125.91 -53.67 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.0 p -106.77 -4.96 18.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 3.2 mp0 68.68 48.53 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 11.5 mm-40 -127.54 -174.02 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.6 tt0 -127.64 119.45 25.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.56 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -88.32 179.91 46.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.42 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' GLY . 23.2 p -157.22 140.5 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.787 0.327 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.772 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 51.73 25.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.701 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.6 m95 -178.5 136.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.672 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.8 p -177.26 119.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 27.8 m-85 -74.02 98.99 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.59 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 3.5 t60 -108.66 155.07 21.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 20.0 t -118.37 120.77 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.19 23.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 64' ' ' CYS . 17.0 tt0 -128.5 -30.51 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 68' ' ' ASP . 3.5 m -133.05 22.36 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.59 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.5 m-20 35.43 54.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.3 t80 -93.9 171.88 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -161.06 132.86 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.99 HD13 ' CD2' ' A' ' 32' ' ' HIS . 69.9 mt -147.09 178.44 8.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.5 m80 -91.46 147.12 23.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.693 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -55.75 -38.6 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -79.62 -43.69 22.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 32.7 m -53.73 -48.68 69.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.913 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.29 -37.95 89.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.594 HD21 ' CD ' ' A' ' 27' ' ' PRO . 16.4 mt -65.74 -56.85 9.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.406 ' OD1' ' C ' ' A' ' 78' ' ' ASN . 1.0 OUTLIER -74.13 165.05 25.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -114.47 -45.37 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.26 105.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.0 m -115.87 133.57 55.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -111.61 147.16 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -68.66 165.59 19.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 t -41.25 -62.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.69 179.46 22.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 86.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m -44.25 -52.73 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.7 t 61.13 42.16 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.471 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.549 -0.221 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -128.93 177.23 7.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -102.56 169.72 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.8 -115.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -146.29 166.91 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -148.44 164.16 34.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.81 167.01 10.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.2 p -84.78 134.06 34.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.38 114.27 9.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -120.05 -62.84 1.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -97.07 109.89 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.19 94.94 5.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -95.79 -60.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 19.5 tt0 -72.35 -47.16 51.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' GLU . 49.9 mm -37.74 -57.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.72 -48.93 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -46.38 -45.57 17.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.795 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.4 m-85 -63.84 -46.15 86.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -49.71 -36.51 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.0 tt0 -61.98 -27.25 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.1 mt -81.97 -31.79 10.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.78 34.27 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 29.9 mtmt -61.72 -42.89 99.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -89.61 -30.22 18.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.658 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 16.3 m0 -50.17 122.91 15.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.571 0.701 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.7 Cg_endo -69.77 158.25 57.59 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -78.63 -35.32 45.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -123.29 118.69 28.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' A' ' 76' ' ' ALA . 10.5 p -118.2 143.52 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 39' ' ' GLU . 11.0 tttp -101.48 89.09 3.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.642 ' HE1' HD12 ' A' ' 34' ' ' LEU . 32.1 t-80 -68.61 162.36 26.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.623 HG21 HG22 ' A' ' 81' ' ' THR . 7.2 p -79.75 -48.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.642 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.2 mt -63.19 -24.62 67.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 9.0 t60 -121.19 24.51 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -36.07 -38.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 26.0 mp0 -33.68 -52.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -138.79 170.9 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HG2' ' CB ' ' A' ' 31' ' ' LYS . 22.0 mt-10 -99.99 117.13 33.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.784 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -55.19 166.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 42' ' ' LEU . 24.3 tt0 -128.42 99.89 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.9 tp -35.2 98.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.8 m -109.46 139.2 44.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.7 mmm-85 -68.05 126.79 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.8 t -143.84 135.08 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -63.84 -51.65 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' A' ' 56' ' ' GLU . 21.1 t -152.5 148.03 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 19.9 p90 -160.28 179.02 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -125.0 110.77 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 36.1 t -68.7 134.61 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' OD1' ' CE1' ' A' ' 69' ' ' PHE . 6.1 p-10 -96.66 22.91 7.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 70.2 tttt -116.43 -64.11 1.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 25.8 p -96.85 -0.71 47.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 63.88 39.42 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 70.5 mm-40 -121.43 166.52 13.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.9 tt0 -110.71 123.43 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.17 -176.22 42.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 57' ' ' GLY . 33.2 p -160.16 142.8 13.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.165 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.795 HG21 ' CD1' ' A' ' 19' ' ' TYR . 31.8 mm 52.76 24.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.23 130.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 23.3 t -172.4 111.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.4 m-85 -64.14 99.48 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.498 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 42.9 t60 -104.31 149.81 25.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.479 ' HB2' HD12 ' A' ' 40' ' ' LEU . 38.9 t -112.82 123.49 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.78 28.08 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 64' ' ' CYS . 26.0 tt0 -133.24 -50.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.9 m -111.54 -15.71 13.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.498 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 6.3 m-20 70.96 47.41 0.43 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.556 ' HE2' HD11 ' A' ' 71' ' ' LEU . 11.2 t80 -95.59 121.81 37.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -104.01 148.21 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.622 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -154.62 178.77 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.485 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 11.7 m80 -92.97 152.52 19.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.658 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.48 -44.4 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -75.18 -37.44 61.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 17.8 m -59.48 -47.55 85.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -63.02 -44.28 96.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD21 ' HD2' ' A' ' 27' ' ' PRO . 34.5 mt -63.91 -49.18 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -75.5 108.48 8.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 80' ' ' ASP . 14.3 tm-20 -94.23 118.76 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 79' ' ' GLU . 19.9 m-20 -168.69 157.02 8.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.623 HG22 HG21 ' A' ' 33' ' ' VAL . 67.9 p -126.7 39.23 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.17 47.0 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -98.15 -53.84 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.0 m -108.26 157.92 17.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.27 66.57 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.3 m -150.18 163.69 37.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 -49.01 7.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.511 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -164.23 150.71 11.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -149.6 174.89 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 152.28 18.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.18 157.8 27.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.82 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -133.96 157.82 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.27 -175.35 13.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.2 p -139.01 172.0 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 111.183 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 12' ' ' LEU . 10.4 tt0 -53.12 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -122.04 -60.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -107.75 73.31 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.786 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -41.17 102.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -86.48 -67.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' ILE . 66.6 tt0 -55.96 -57.29 12.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.511 HG22 ' CE2' ' A' ' 19' ' ' TYR . 36.8 mm -34.76 -53.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -56.82 -48.86 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.35 -41.71 66.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -55.73 -43.73 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.887 ' CD1' HG21 ' A' ' 59' ' ' ILE . 19.0 m-85 -66.19 -50.39 64.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -48.61 -37.32 17.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -61.06 -29.26 69.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.7 mt -82.19 -32.7 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -108.13 34.78 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -66.46 -40.91 89.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.5 -29.07 16.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.667 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.4 m0 -48.08 125.23 11.23 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.553 0.692 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.67 69.11 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -74.03 -32.65 63.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -124.37 122.43 37.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.846 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.6 p -117.94 140.47 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -103.09 84.59 2.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.493 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.1 t-80 -69.29 155.5 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.2 p -71.88 -49.6 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.2 mt -61.4 -25.8 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 5.9 t60 -120.66 23.35 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' GLU . 12.4 pt-20 -38.21 -39.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' GLU . 6.4 mp0 -34.67 -46.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 3.7 m80 -142.45 163.55 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.8 mp0 -95.17 117.5 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.76 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -55.59 168.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' LEU . 22.7 tt0 -131.74 102.5 5.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 15.2 tp -33.33 101.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.4 m -109.05 138.77 44.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.2 mmm180 -74.55 123.12 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.9 t -142.58 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.08 -50.7 67.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 56' ' ' GLU . 9.0 t -153.1 147.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.681 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.7 p90 -162.55 -175.13 4.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.3 m -127.49 109.74 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.604 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 44.2 t -63.43 149.35 46.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.2 23.98 13.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' CE ' ' HG3' ' A' ' 79' ' ' GLU . 17.3 tttm -122.07 -54.28 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.7 p -103.49 -2.57 26.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 64.81 31.16 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -110.89 -174.81 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 6.0 tt0 -125.06 126.19 44.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.591 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -92.79 -179.31 40.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.51 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.6 p -157.57 141.93 16.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.288 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.887 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.4 mm 50.94 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.718 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.8 m95 -178.46 136.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.681 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.6 p -175.73 118.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 26.7 m-85 -70.63 98.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 57.7 t60 -103.32 149.29 24.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 12.8 t -115.24 118.77 34.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -76.29 33.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' CYS . 10.4 tt0 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.4 m -124.28 -16.54 6.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.57 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 9.1 t0 74.99 47.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.52 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 7.3 t80 -97.93 122.26 40.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.51 146.47 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 HD13 ' CD2' ' A' ' 32' ' ' HIS . 34.6 mt -150.81 178.46 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.604 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 9.8 m80 -97.22 152.87 18.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.667 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.4 -45.75 80.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -74.18 -43.64 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.416 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 35.8 m -53.52 -48.6 68.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.846 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -68.6 -40.35 80.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.0 mt -61.12 -50.23 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -144.73 167.63 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' HG3' ' CE ' ' A' ' 52' ' ' LYS . 5.5 tt0 -129.43 136.27 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -117.44 -18.01 9.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.481 ' CG2' ' HG3' ' A' ' 83' ' ' GLU . 83.3 m -162.27 133.33 5.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -127.76 49.73 2.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.481 ' HG3' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -129.44 173.28 10.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.451 ' C ' ' OE2' ' A' ' 83' ' ' GLU . 16.6 m -84.63 119.66 25.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.412 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . -164.0 107.26 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 53.5 Cg_endo -69.79 135.98 31.76 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -151.84 109.26 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.8 p -94.52 42.3 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.44 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -135.06 118.26 16.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -104.24 -60.32 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.77 -118.67 0.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.7 p 45.43 42.25 7.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -61.5 -49.85 75.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.79 -167.57 37.54 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -143.79 165.48 27.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.126 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' THR . 23.2 mm-40 -33.67 143.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -109.11 -58.26 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 11' ' ' ARG . 21.9 mtt-85 -115.22 83.52 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.687 ' H ' HD12 ' A' ' 12' ' ' LEU . 5.5 mp -54.1 101.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -96.15 -55.22 3.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 15' ' ' ILE . 6.6 tp10 -83.55 -48.21 10.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG22 ' CE2' ' A' ' 19' ' ' TYR . 49.5 mm -37.09 -45.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -56.98 -52.99 63.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.99 -38.72 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -48.53 80.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' HG21 ' A' ' 59' ' ' ILE . 23.4 m-85 -49.48 -49.98 43.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -45.65 -37.48 5.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 29.6 tt0 -53.31 -35.82 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.6 mt -75.44 -29.64 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.31 34.06 3.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.3 mttt -64.27 -41.31 96.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -91.7 -29.61 16.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 20.1 m0 -52.26 124.99 32.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.536 0.684 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.615 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.8 Cg_endo -69.71 170.31 16.82 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.266 . . . . 0.0 112.368 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -86.78 -36.91 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 mmtm -121.88 120.37 34.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.788 HG21 ' HB1' ' A' ' 76' ' ' ALA . 12.2 p -110.62 149.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -109.15 97.43 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CD2' HD13 ' A' ' 71' ' ' LEU . 11.5 t-80 -87.82 159.22 18.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -76.97 -45.51 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 33' ' ' VAL . 84.7 mt -62.82 -28.09 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -121.95 28.05 7.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.1 pt-20 -39.96 -38.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -32.95 -53.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -136.56 169.95 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 26.1 mt-10 -100.75 109.76 21.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.807 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.8 mm? -45.43 171.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 42' ' ' LEU . 16.3 tt0 -134.31 101.44 5.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.9 tp -33.28 97.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' GLU . 23.2 m -108.82 135.97 49.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -63.62 133.53 53.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.2 t -151.26 132.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' VAL . 40.4 tt0 -64.26 -50.67 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 56' ' ' GLU . 24.2 t -155.0 144.85 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.635 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.8 p90 -157.12 -175.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -126.88 106.5 9.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.184 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 33.1 t -60.69 122.56 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -87.35 27.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -121.51 -64.5 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.3 p -98.49 1.34 46.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 64.24 45.76 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 59.3 mm-40 -120.58 -173.17 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.2 tt0 -132.77 117.78 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -87.85 -179.44 47.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' GLY . 29.2 p -156.24 137.88 14.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.752 HG21 ' CD1' ' A' ' 19' ' ' TYR . 28.3 mm 54.0 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.71 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.5 m95 -178.63 133.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.635 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 15.0 t -176.95 113.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 36.2 m-85 -64.27 99.73 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 47.4 t60 -106.55 149.28 27.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.536 ' O ' ' C ' ' A' ' 65' ' ' ASP . 24.2 t -128.67 74.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -25.0 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 tp10 -39.91 -53.0 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' CYS . 1.9 m -114.57 -2.86 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 2.1 m-20 62.17 55.05 2.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.0 t80 -95.59 174.64 6.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 1.0 OUTLIER -162.31 128.92 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.0 mt -141.31 178.16 7.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 4.8 m80 -92.71 150.48 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.605 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -60.88 -38.82 86.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -80.42 -35.91 34.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 56.2 m -63.56 -53.11 56.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.788 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -57.1 -45.61 83.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.615 HD21 ' CD ' ' A' ' 27' ' ' PRO . 26.6 mt -70.4 -37.32 74.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -102.83 88.05 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -49.07 -50.69 35.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.29 122.28 42.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 82' ' ' LYS . 2.7 m -124.33 31.4 5.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 81' ' ' THR . 3.9 tppt? 31.75 43.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -75.01 125.8 29.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 91.6 p -98.4 -51.56 3.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.84 63.99 0.72 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.456 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.36 46.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -71.12 117.52 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -117.87 165.09 14.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.17 -0.795 . . . . 0.0 112.48 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -163.08 161.47 25.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.818 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -161.56 176.81 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.8 162.53 36.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -151.74 154.28 35.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 p -144.42 152.98 41.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.18 -109.0 2.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.433 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.8 p -100.06 171.83 7.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.813 0.34 . . . . 0.0 111.094 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.535 ' HB3' HD11 ' A' ' 12' ' ' LEU . 4.5 mp0 -46.62 132.04 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -132.31 121.55 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' LEU . 39.1 mtt85 55.44 46.05 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -35.88 100.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 7.8 pttt -96.27 -59.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 7.6 tp10 -63.2 -52.57 61.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.4 mm -39.16 -61.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 63.0 mm-40 -56.67 -44.17 81.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 14' ' ' GLU . . . -45.03 -34.38 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 mtmm -66.65 -58.55 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.697 ' CD1' HG21 ' A' ' 59' ' ' ILE . 10.0 m-85 -42.95 -40.09 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 24' ' ' LYS . 77.6 m-20 -48.02 -44.96 31.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' NZ ' ' A' ' 24' ' ' LYS . 20.2 tt0 -59.75 -24.28 63.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.9 -30.52 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . . . -119.54 28.38 8.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.086 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' ASP . 2.2 ptpp? -70.82 -26.85 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -96.26 -30.65 13.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.534 ' CD1' ' N ' ' A' ' 26' ' ' TRP . 7.4 m0 -58.74 130.33 85.52 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.563 0.697 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.88 55.55 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.07 77.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HD2' ' O ' ' A' ' 40' ' ' LEU . 14.9 mmmt -125.29 119.17 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.017 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.5 p -116.29 144.48 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -100.19 77.14 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.798 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.1 t-80 -58.94 159.38 7.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.6 p -78.66 -49.23 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.576 HD12 ' HE1' ' A' ' 32' ' ' HIS . 67.4 mt -63.08 -17.16 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.5 t60 -131.96 28.19 4.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -41.45 -37.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 36' ' ' GLU . 24.0 mp0 -34.13 -49.53 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -138.39 169.4 17.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 28.1 mt-10 -100.53 114.15 27.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.808 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.1 mm? -51.08 171.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 42' ' ' LEU . 11.1 tt0 -135.32 102.6 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.553 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.2 tp -33.43 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -109.72 133.25 53.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mmm180 -69.04 125.12 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 95.7 t -143.08 136.33 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 58' ' ' THR . 48.6 tp60 -64.5 -50.44 67.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.7 t -154.6 145.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.654 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 20.1 p90 -159.55 -174.96 4.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 m -129.39 110.93 12.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 49.0 t -66.82 147.86 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -107.64 25.56 11.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 66.1 tttt -120.71 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 18.7 p -97.55 -3.49 39.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 66.09 39.98 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 13.0 mm-40 -119.71 178.57 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 8.5 tt0 -119.79 122.73 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -92.22 171.22 33.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 46' ' ' GLN . 5.4 p -149.04 145.35 27.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.761 0.315 . . . . 0.0 111.121 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.73 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 37.7 mm 50.74 25.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.73 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.3 m95 -178.62 138.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.654 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 9.7 p -177.53 117.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 35.0 m-85 -72.89 98.38 2.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 38.6 t60 -103.94 151.0 23.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 38.1 t -112.41 123.94 51.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.7 28.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 64' ' ' CYS . 4.5 tp10 -134.92 -52.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.473 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -108.6 -17.24 14.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.567 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 71.21 50.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HE2' HD11 ' A' ' 71' ' ' LEU . 18.9 t80 -100.72 122.75 43.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.24 150.98 23.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.5 mt -154.72 178.62 9.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 17.0 m80 -95.51 155.58 16.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.14 -45.18 79.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -75.15 -38.81 60.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 34.5 m -59.2 -45.05 92.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 1.017 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.01 -43.16 79.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.18 -57.8 8.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -74.6 161.18 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -98.88 168.04 10.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -110.06 110.08 20.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 41.3 m -84.1 122.54 28.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 157.12 37.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 39.43 46.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 t -89.12 -57.03 3.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.8 145.51 10.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -171.95 172.98 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.5 p -78.78 -52.41 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.51 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -121.11 122.26 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 p -172.43 165.53 5.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.813 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.92 -115.14 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 t -151.95 142.45 22.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -66.36 160.05 25.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.61 131.86 5.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.5 p -138.65 177.49 7.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.79 164.05 5.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 72.18 25.23 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' O ' ' C ' ' A' ' 12' ' ' LEU . 56.5 mtp85 -134.92 -41.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.825 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -31.25 101.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -93.87 -56.72 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.55 -46.69 88.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.3 mm -45.77 -56.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -52.0 -50.94 60.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.64 -43.39 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -55.83 -43.78 77.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.751 ' CD1' HG21 ' A' ' 59' ' ' ILE . 15.7 m-85 -65.86 -48.73 70.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.59 -38.7 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 8.3 tp10 -59.17 -30.84 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 61.5 mt -77.59 -32.85 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.4 35.56 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 22.9 mttt -61.76 -44.67 96.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -90.23 -29.84 17.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.68 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.0 m0 -47.52 124.58 9.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.3 Cg_endo -69.83 165.0 32.53 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -87.25 -35.65 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -118.95 129.29 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.855 HG21 ' HB1' ' A' ' 76' ' ' ALA . 11.6 p -122.07 144.5 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.69 83.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.489 ' CE1' HD12 ' A' ' 34' ' ' LEU . 3.0 t-80 -72.86 161.75 30.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.5 p -81.58 -41.32 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.489 HD12 ' CE1' ' A' ' 32' ' ' HIS . 26.4 mt -63.87 -27.53 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLU . 9.5 t60 -120.81 25.74 9.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 2.4 pp20? -35.14 -40.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' GLU . 31.2 mm-40 -31.61 -51.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -139.37 -179.46 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -108.22 116.59 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -59.49 165.54 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -128.18 125.81 39.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.8 tp -52.04 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.2 m -101.42 136.67 40.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.74 128.93 37.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -149.01 139.13 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.481 ' O ' HG22 ' A' ' 58' ' ' THR . 32.2 tt0 -69.68 -49.55 52.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG13 ' HG3' ' A' ' 56' ' ' GLU . 7.2 t -151.48 148.73 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 31.6 p90 -165.07 -175.16 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -128.34 106.67 9.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.1 t -60.86 151.22 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -109.91 27.75 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HD2' ' HE2' ' A' ' 32' ' ' HIS . 29.6 tttp -126.46 -55.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 23.2 p -100.84 -4.68 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 66.07 30.82 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -111.14 -177.67 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' C ' ' HE2' ' A' ' 72' ' ' HIS . 9.0 tt0 -122.48 121.19 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.775 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.6 -170.54 46.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.514 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 57' ' ' GLY . 16.2 p -166.52 142.37 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.717 0.294 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 19' ' ' TYR . 27.5 mm 49.83 25.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.716 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 -179.03 137.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 31.4 p -178.07 120.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 36.7 m-85 -74.45 98.54 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.878 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.588 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 13.8 t60 -107.23 151.98 24.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.572 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.4 t -117.75 118.55 32.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.89 35.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 64' ' ' CYS . 11.0 tp10 -135.0 -36.43 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 3.2 m -125.59 -6.61 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 39.8 t0 66.69 54.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 1.9 t80 -95.49 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -159.58 125.39 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD13 ' CD2' ' A' ' 32' ' ' HIS . 19.6 mt -135.6 178.38 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.68 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 12.3 m80 -95.67 148.72 22.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.68 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -52.22 -39.55 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -79.94 -42.05 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 21.3 m -54.71 -43.1 72.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.855 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -69.04 -43.36 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 27' ' ' PRO . 17.0 mt -68.84 -64.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -95.98 167.29 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -133.36 125.29 28.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -104.2 135.07 46.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 81' ' ' THR . 33.7 m -89.23 -7.39 55.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -159.59 127.09 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -74.93 82.82 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 64.4 p -84.43 95.69 8.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.02 108.59 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 172.22 13.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.4 m -47.14 106.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.3 t 56.99 52.92 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.482 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -96.74 124.99 40.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -42.59 -54.51 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.74 118.93 6.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -86.96 101.64 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.908 0.385 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 7' ' ' GLY . 44.9 m -57.49 -44.4 84.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.36 113.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.1 p -47.43 138.74 7.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.24 137.05 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -112.29 -44.45 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -138.51 171.93 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.5 mt -131.74 85.05 2.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -80.23 -68.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' ILE . 7.2 tp10 -71.26 -51.72 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' GLU . 44.3 mm -35.24 -53.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.68 -45.33 77.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' GLU . . . -54.32 -38.77 66.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -60.32 -37.12 79.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 17.0 m-30 -64.84 -44.76 88.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -44.81 -39.86 5.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.05 -36.78 70.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.9 mt -72.7 -35.81 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.98 25.04 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 14.3 ptpt -66.7 -40.73 88.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 24.9 t0 -86.06 -31.73 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.91 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -53.66 128.28 52.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.601 0.715 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 149.08 66.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -69.06 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 9.1 mmtp -124.96 121.97 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.821 HG21 ' HB1' ' A' ' 76' ' ' ALA . 13.8 p -116.51 146.92 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' CB ' ' HG3' ' A' ' 39' ' ' GLU . 38.4 tttm -108.17 104.24 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.803 ' CD2' HD13 ' A' ' 71' ' ' LEU . 7.3 t-80 -89.59 157.42 18.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.2 p -70.99 -49.48 49.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 33' ' ' VAL . 24.1 mt -61.13 -28.08 68.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -119.33 25.42 10.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -38.66 -39.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -37.45 -48.29 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -140.87 164.33 30.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 1.5 mp0 -97.42 131.08 44.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.641 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.9 mm? -66.56 168.69 8.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -132.26 115.19 15.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.529 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 12.8 tp -40.18 103.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.2 m -111.62 135.78 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' NH1' HG23 ' A' ' 59' ' ' ILE . 5.8 mmm180 -68.89 122.55 18.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 11.5 t -143.1 145.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -77.15 -49.17 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.2 t -154.47 149.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 57' ' ' GLY . 36.3 p90 -161.29 -175.06 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -128.37 104.51 7.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.0 t -59.05 124.22 19.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -91.56 29.08 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -122.9 -54.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.4 p -107.06 -2.17 21.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 67.1 47.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 25.8 mm-40 -126.52 -173.61 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.2 tt0 -131.11 117.95 19.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' THR . . . -86.03 178.89 49.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.3 p -159.95 137.36 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.794 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 42.0 mm 60.84 24.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.794 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.3 m95 175.53 139.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -173.77 120.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 23.0 m-85 -78.12 99.81 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 0.7 OUTLIER -112.61 151.03 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.431 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 6.3 t -107.26 126.01 51.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -81.61 34.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -134.86 -36.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.2 m -122.07 -15.58 7.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.605 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 5.2 t70 75.01 54.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HE2' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -94.94 171.92 8.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 m-20 -153.86 137.42 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.803 HD13 ' CD2' ' A' ' 32' ' ' HIS . 76.8 mt -153.16 177.87 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.2 m80 -92.22 155.58 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.64 -38.74 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -80.56 -38.5 29.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.5 m -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.821 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -64.49 -41.47 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.057 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.61 -43.1 94.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -122.68 112.33 17.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -119.89 36.52 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.82 167.36 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.2 p -38.64 154.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -131.79 173.36 11.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 6.6 pt-20 -121.12 141.63 50.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.2 p -48.92 144.18 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.23 130.31 7.72 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.03 29.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.232 . . . . 0.0 112.33 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.7 t -45.16 115.9 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -125.8 106.33 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.539 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -47.16 -60.35 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.837 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -46.8 163.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.24 123.66 1.79 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -119.77 159.22 24.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -153.56 150.68 28.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.28 -119.34 3.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -80.4 146.24 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.743 0.306 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -148.91 162.48 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 11' ' ' ARG . 1.6 pm0 -58.38 -36.87 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 10.2 ptt180 -125.34 137.87 54.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 15' ' ' ILE . 19.8 mt -135.93 119.32 16.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -93.87 -50.18 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ILE . 3.4 tp10 -75.21 -52.69 10.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.534 HG13 HD22 ' A' ' 12' ' ' LEU . 37.8 mm -35.05 -52.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -46.1 -50.24 15.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.71 -50.03 7.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -51.7 -48.0 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.664 ' CG ' HG21 ' A' ' 59' ' ' ILE . 13.6 m-85 -67.48 -50.87 57.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -46.25 -37.74 7.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -67.29 -33.87 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.28 -34.89 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.64 31.19 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.86 -30.68 22.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.562 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.3 m0 -56.13 125.06 62.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.559 0.695 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 77' ' ' LEU . 54.3 Cg_endo -69.66 150.49 68.91 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.362 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -70.04 -36.68 75.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 15.2 mmtt -126.19 118.43 25.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.7 p -112.63 154.68 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 30' ' ' VAL . 3.1 tppp? -110.09 83.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 71' ' ' LEU . 35.5 t-80 -62.83 154.61 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -75.38 -48.94 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' N ' HG13 ' A' ' 33' ' ' VAL . 96.7 mt -62.86 -23.04 67.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 8.6 t60 -121.98 26.51 8.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.1 pp20? -38.53 -37.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' GLU . 22.7 mm-40 -35.46 -49.06 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -139.65 175.49 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -104.77 125.51 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 64' ' ' CYS . 0.7 OUTLIER -63.45 168.13 4.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 42' ' ' LEU . 8.9 tt0 -132.46 103.21 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.587 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 14.2 tp -35.39 101.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 m -109.19 143.57 38.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.5 mmm180 -78.29 124.03 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 85.7 t -143.8 135.7 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -63.08 -52.0 64.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 56' ' ' GLU . 12.4 t -153.56 146.36 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.659 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 16.8 p90 -158.78 -175.01 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -128.63 106.43 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.0 t -59.55 131.85 52.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -96.94 28.69 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -123.63 -57.87 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -104.14 -1.75 26.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 65.83 51.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 18.5 mm-40 -127.31 -173.35 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' HG13 ' A' ' 47' ' ' VAL . 16.4 tt0 -132.09 115.56 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -87.1 179.28 48.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.2 p -155.07 145.65 22.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.685 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 30.1 mm 48.51 24.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.685 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.8 m95 -178.7 138.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.659 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.1 p -176.6 117.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 40' ' ' LEU . 15.8 m-85 -70.16 99.15 1.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.592 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 41.7 t60 -104.66 151.06 24.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.53 ' HB2' HD12 ' A' ' 40' ' ' LEU . 4.8 t -119.42 122.44 41.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -76.17 30.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.6 tp10 -134.97 -36.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -135.01 19.87 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.592 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 7.4 p-10 35.57 52.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 7.6 t80 -97.95 115.44 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 2.8 m-20 -102.27 143.24 32.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.818 HD13 ' CD2' ' A' ' 32' ' ' HIS . 46.9 mt -149.75 177.92 9.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 12.7 m80 -92.2 141.81 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.691 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -50.8 -39.14 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -79.19 -39.76 32.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 16.6 m -57.25 -49.31 76.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.68 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -68.37 -41.99 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 73' ' ' ALA . 6.5 mt -60.06 -45.38 93.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -89.44 163.1 15.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 80' ' ' ASP . 4.7 pt-20 -109.2 -48.82 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 79' ' ' GLU . 6.0 t0 -32.69 111.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 88.8 m -119.92 130.56 54.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -129.38 81.64 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -51.79 142.4 15.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 p -146.3 146.66 30.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 86' ' ' PRO . . . -149.72 108.91 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 85' ' ' GLY . 54.1 Cg_endo -69.74 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.5 m -149.94 146.66 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 t -81.52 -57.92 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.467 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -134.45 159.6 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -83.36 153.27 24.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.61 83.13 0.86 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -169.09 147.14 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 t -51.9 136.17 28.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.35 146.28 3.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.4 p -141.25 140.74 33.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.746 0.307 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' CA ' HD11 ' A' ' 12' ' ' LEU . 25.3 mt-10 -78.76 130.68 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' CG ' ' HD3' ' A' ' 11' ' ' ARG . 35.8 tt0 -165.7 124.0 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' HD3' ' CG ' ' A' ' 10' ' ' GLU . 1.6 mpt_? 45.23 54.25 7.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD11 ' CA ' ' A' ' 9' ' ' GLU . 5.7 mp -78.93 43.66 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -69.63 -43.8 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.65 -42.95 17.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.9 mm -46.23 -58.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -43.49 -45.73 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.71 -40.94 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -54.36 -44.66 72.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.742 ' CD1' HG21 ' A' ' 59' ' ' ILE . 18.4 m-85 -61.11 -45.65 93.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -48.58 -38.26 20.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.464 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 57.2 tt0 -57.26 -31.24 65.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.52 -30.49 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -108.82 34.04 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 24.1 mttm -60.06 -45.79 91.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.41 -29.52 19.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.593 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 19.3 m0 -48.56 123.97 11.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.562 0.696 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.894 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 165.12 32.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -86.04 -35.61 20.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 12.3 mmtm -123.25 118.8 28.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.637 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.8 p -122.99 144.53 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -105.04 103.13 12.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.2 t-80 -79.85 159.34 26.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 34' ' ' LEU . 6.3 p -70.26 -49.46 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' N ' HG13 ' A' ' 33' ' ' VAL . 88.8 mt -63.98 -23.45 67.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.477 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 7.6 t60 -123.54 22.94 9.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' HIS . 17.3 pt-20 -38.91 -33.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.1 mp0 -39.12 -51.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -134.8 171.61 14.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -101.42 124.29 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.0 mm? -61.07 169.78 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.6 tt0 -132.96 95.68 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.7 tp -32.34 101.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.6 m -113.34 139.59 48.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.8 mmm180 -71.08 127.22 31.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 t -143.47 143.04 24.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 47' ' ' VAL . 4.8 tp-100 -69.68 -49.2 55.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 46' ' ' GLN . 16.0 t -156.34 145.9 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CE1' ' OG ' ' A' ' 61' ' ' SER . 27.9 p90 -157.45 -174.98 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 17.3 m -129.96 114.62 16.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 38.5 t -73.19 129.53 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.8 25.18 2.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 46.8 tttm -118.58 -67.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 24.6 p -95.32 5.0 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 58.22 40.05 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.5 mm-40 -120.95 169.13 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.3 tt0 -113.86 125.69 54.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' THR . . . -93.48 -177.71 39.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 57' ' ' GLY . 18.2 p -160.84 140.48 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.697 0.284 . . . . 0.0 111.16 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.742 HG21 ' CD1' ' A' ' 19' ' ' TYR . 25.3 mm 57.06 25.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.735 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 178.09 132.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' OG ' ' CE1' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -171.95 116.92 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.673 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 28.0 m-85 -72.88 99.43 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 8.2 t60 -105.46 152.25 23.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.824 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 66' ' ' GLU . 27.3 t -110.23 128.55 55.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 17.9 t0 -81.51 30.05 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -134.94 -53.1 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' SG ' ' NE2' ' A' ' 35' ' ' HIS . 1.3 m -107.98 -18.57 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.511 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 10.8 t0 75.0 45.54 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 71' ' ' LEU . 22.0 t80 -95.16 121.88 37.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.08 153.74 19.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.611 HD13 ' CD2' ' A' ' 32' ' ' HIS . 21.6 mt -158.57 178.85 9.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 14.7 m80 -94.86 155.49 16.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.593 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.58 -45.49 91.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.069 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -73.54 -36.6 65.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.412 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 55.3 m -63.33 -43.84 96.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.637 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.58 -41.62 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.147 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.894 HD21 ' HD2' ' A' ' 27' ' ' PRO . 80.3 mt -66.35 -56.91 8.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.39 148.96 23.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -104.57 123.44 47.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -128.77 86.6 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.0 p -55.38 101.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -131.48 42.25 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -46.39 158.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -168.94 174.75 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.44 128.77 18.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 0.67 5.33 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.264 . . . . 0.0 112.322 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 t -109.19 83.59 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 t -125.44 -53.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.522 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.6 p -167.36 151.41 6.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -157.93 118.89 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.5 -97.69 2.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 66.66 43.01 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -132.86 102.44 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.61 -154.27 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -113.35 130.08 56.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 111.166 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.38 7.46 17.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -40.51 -48.55 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 -112.35 119.2 37.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -109.25 115.0 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -86.34 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.47 -58.35 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.705 ' H ' HD12 ' A' ' 15' ' ' ILE . 2.8 mp -41.63 -64.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -44.06 -53.21 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.26 -33.21 71.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -41.27 97.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.694 ' CD1' HG21 ' A' ' 59' ' ' ILE . 24.2 m-85 -59.85 -44.3 94.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 24' ' ' LYS . 30.9 m-20 -44.25 -43.52 7.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -55.77 -37.69 68.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.422 HG22 ' CH2' ' A' ' 26' ' ' TRP . 65.0 mt -71.63 -32.09 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.18 26.48 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' ASP . 13.7 ptpt -64.36 -34.51 78.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.51 -30.46 13.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.542 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.9 m0 -53.54 126.38 47.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.571 0.701 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.76 63.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.242 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -69.7 -36.32 75.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.1 mmtm -123.87 119.68 30.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.826 HG11 ' HB1' ' A' ' 76' ' ' ALA . 14.8 p -115.73 149.69 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -104.58 81.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CD2' HD13 ' A' ' 71' ' ' LEU . 29.3 t-80 -62.89 151.55 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.39 -49.07 39.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.584 HD12 ' HE1' ' A' ' 32' ' ' HIS . 22.4 mt -61.89 -26.52 68.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.9 t60 -119.28 27.41 8.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 37' ' ' GLU . 9.3 pt-20 -37.82 -38.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' GLU . 43.2 mp0 -34.96 -51.17 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -138.27 174.17 10.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 31.7 mt-10 -106.92 117.36 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.2 mm? -57.46 167.28 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' LEU . 38.4 tt0 -130.18 108.64 10.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 13.8 tp -37.33 103.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.5 m -111.43 142.74 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 4.4 mmm180 -76.76 125.5 29.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -145.94 137.94 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -66.21 -51.5 57.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.0 t -151.45 148.13 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.677 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 25.3 p90 -162.14 -175.06 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.8 m -127.47 108.92 11.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.04 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -107.08 31.73 5.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.469 ' CE ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 tttm -126.51 -56.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -105.83 -4.1 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 42.5 mt-10 69.08 43.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.52 167.4 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG3' HG13 ' A' ' 47' ' ' VAL . 7.7 tt0 -109.35 127.22 54.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -95.72 -178.17 36.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 57' ' ' GLY . 28.1 p -158.5 143.91 16.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.128 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.722 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 35.2 mm 50.92 24.97 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.1 m95 -179.28 137.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.677 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.5 p -177.7 116.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 31.2 m-85 -69.51 98.42 1.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 53.3 t60 -103.12 144.64 31.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.521 ' HB2' HD12 ' A' ' 40' ' ' LEU . 5.3 t -112.64 121.07 43.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.54 30.44 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' H ' ' C ' ' A' ' 64' ' ' CYS . 9.8 tt0 -134.97 -35.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.8 m -134.97 19.55 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.573 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 25.4 t0 36.86 49.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 10.1 t80 -96.49 118.55 33.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -103.28 149.24 24.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.83 HD13 ' CD2' ' A' ' 32' ' ' HIS . 39.1 mt -153.17 178.59 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.458 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 5.4 m80 -94.22 156.99 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.07 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -76.85 -41.9 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.41 ' SG ' ' HD3' ' A' ' 52' ' ' LYS . 41.5 m -54.52 -49.08 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.826 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -64.63 -46.59 81.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.4 mt -59.63 -61.66 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.83 153.73 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HG3' ' CE ' ' A' ' 52' ' ' LYS . 38.0 tt0 -98.21 104.51 16.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -175.36 124.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 81' ' ' THR . 4.9 t -125.05 77.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.49 148.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' CD ' ' N ' ' A' ' 84' ' ' SER . 3.2 pp20? -100.16 -45.58 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 4.3 m -49.29 -56.51 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.37 -140.4 16.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 154.58 67.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.8 m -141.15 134.43 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.2 t -130.43 118.88 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -135.41 136.01 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -89.31 148.25 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.69 174.97 5.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.474 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -130.37 161.82 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -132.05 166.84 20.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.45 167.39 13.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -78.43 147.86 33.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.13 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -69.38 153.75 43.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -77.41 -51.54 10.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -77.94 121.49 24.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 HD22 HG13 ' A' ' 15' ' ' ILE . 96.3 mt -117.79 40.36 3.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -50.2 -68.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -55.13 -59.49 4.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG22 ' CE2' ' A' ' 19' ' ' TYR . 31.8 mm -38.33 -62.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -45.29 -47.8 13.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.3 98.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -54.04 -42.88 69.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.721 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.9 m-85 -56.42 -49.03 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.97 -41.11 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 18.8 tt0 -56.59 -36.13 69.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.78 -33.37 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -103.72 34.93 2.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 8.3 mtpp -63.44 -46.11 87.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -87.0 -29.78 21.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.545 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 13.9 m0 -53.16 124.81 39.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.531 0.681 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 163.96 36.32 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -82.83 -35.69 26.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -126.08 118.2 24.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.844 HG11 ' HB1' ' A' ' 76' ' ' ALA . 13.9 p -116.21 143.5 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -102.26 87.36 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.856 ' CD2' HD13 ' A' ' 71' ' ' LEU . 36.9 t-80 -66.25 150.27 49.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.583 HG13 ' N ' ' A' ' 34' ' ' LEU . 9.2 p -69.8 -49.93 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.67 HD12 ' HE1' ' A' ' 32' ' ' HIS . 33.2 mt -63.32 -18.67 63.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 8.5 t60 -130.7 25.14 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' HIS . 15.0 pt-20 -39.76 -36.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' GLU . 1.1 mp0 -33.52 -45.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 8.1 m80 -141.77 164.95 28.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 47.0 mt-10 -99.07 114.35 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 64' ' ' CYS . 3.0 mm? -52.06 171.69 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 42' ' ' LEU . 9.4 tt0 -134.98 95.76 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.602 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 14.6 tp -26.84 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.3 m -109.48 140.21 43.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.1 mmm-85 -73.55 128.47 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 69.9 t -147.65 141.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -71.04 -50.27 35.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' HG3' ' A' ' 56' ' ' GLU . 11.8 t -153.16 147.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.671 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 26.6 p90 -162.58 -175.04 4.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 m -127.44 108.75 11.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.161 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.528 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 50.1 t -63.43 123.52 18.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -87.36 32.27 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.597 ' HG3' HD12 ' A' ' 34' ' ' LEU . 4.6 ttpt -126.41 -64.97 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 28.5 p -98.21 1.77 47.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 62.95 49.44 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.472 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 5.3 mm-40 -125.49 -173.09 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' HG13 ' A' ' 47' ' ' VAL . 15.4 tt0 -131.58 119.48 21.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 48' ' ' TYR . . . -90.57 179.21 43.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.507 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.4 p -155.52 142.83 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.174 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 21.7 mm 51.44 25.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.732 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 6.3 m95 -179.5 136.9 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.671 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 8.9 p -174.6 126.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 76' ' ' ALA . 24.7 m-85 -79.34 97.88 6.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 58.5 t60 -102.85 154.08 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.707 ' HB2' HD13 ' A' ' 40' ' ' LEU . 4.3 t -121.45 119.43 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 16.6 t0 -77.89 33.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 64' ' ' CYS . 19.1 tt0 -134.84 -37.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.7 m -130.72 -6.06 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 16.6 t70 63.82 54.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 9.3 t80 -105.03 118.43 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' TYR . 15.1 m-20 -102.37 145.45 29.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 32' ' ' HIS . 42.3 mt -149.55 178.48 8.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 8.3 m80 -93.04 150.62 20.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.74 -41.19 81.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -78.55 -40.57 34.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 28.4 m -55.92 -47.4 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.844 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.23 -41.53 85.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 mt -63.36 -59.75 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -85.14 93.96 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.69 92.62 4.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -105.33 138.26 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.0 p -46.42 164.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.05 153.04 2.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -151.79 112.56 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.8 m -58.37 155.23 12.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.72 140.41 16.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 141.84 46.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.4 t -38.79 -52.12 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 m -106.32 159.81 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.521 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 t -156.18 176.48 12.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.6 p -125.33 147.19 49.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.35 -176.18 17.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -142.41 164.9 28.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -113.02 -61.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.4 -151.46 23.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -145.4 149.02 33.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 111.161 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -63.14 131.44 48.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -125.25 -47.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -94.24 69.62 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -39.64 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -96.39 -45.37 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.57 -47.19 50.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 18' ' ' LYS . 43.4 mm -43.71 -64.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' ILE . 31.7 mt-10 -35.74 -57.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.67 14.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' ILE . 24.7 mmtp -51.61 -45.26 63.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.702 ' CG ' HG21 ' A' ' 59' ' ' ILE . 21.3 m-85 -59.68 -45.85 90.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -48.47 -35.22 12.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 22.3 tp10 -58.32 -31.71 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.27 -31.52 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.2 30.13 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 19.6 mttm -62.07 -46.81 87.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -86.31 -26.69 24.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.585 ' CZ3' ' HB1' ' A' ' 73' ' ' ALA . 25.0 m0 -57.04 125.97 71.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 175.77 7.68 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.22 . . . . 0.0 112.355 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -92.24 -36.1 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -122.16 128.49 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.924 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.3 p -126.32 143.68 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -107.19 104.25 13.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' GLU . 21.9 t-80 -90.74 143.52 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.565 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -51.42 -49.92 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' N ' HG13 ' A' ' 33' ' ' VAL . 53.6 mt -62.35 -23.34 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.8 t60 -120.46 24.94 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' HIS . 13.0 pt-20 -40.23 -35.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -40.62 -51.28 3.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -137.12 -175.81 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -113.71 114.89 26.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.742 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.04 172.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' THR . 18.2 tt0 -134.85 103.95 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD13 ' CE2' ' A' ' 62' ' ' TYR . 17.6 tp -34.16 95.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' GLU . 21.9 m -103.26 138.79 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -74.05 130.46 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 81.9 t -150.45 137.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -67.57 -49.13 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.13 146.16 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.673 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 28.3 p90 -161.41 -175.27 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.6 m -126.83 106.29 9.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 46.7 t -60.25 130.18 45.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -94.49 30.08 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 29.6 tttt -124.05 -61.82 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.4 p -101.39 -0.15 35.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 60.7 mt-10 65.09 50.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 19.7 mm-40 -126.96 -172.99 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -130.95 118.03 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' THR . . . -88.73 -178.06 46.53 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 57' ' ' GLY . 22.7 p -158.98 139.56 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.799 0.333 . . . . 0.0 111.141 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.707 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 25.6 mm 54.39 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.707 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.6 m95 -179.66 137.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.673 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 25.5 p -177.53 116.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.792 ' CE2' HD13 ' A' ' 42' ' ' LEU . 35.0 m-85 -73.34 98.43 2.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.668 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.3 OUTLIER -110.32 158.0 18.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.668 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 41.7 t -119.14 115.04 23.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -66.81 4.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 64' ' ' CYS . 7.9 tt0 -112.32 -27.32 8.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' ASP . 21.7 m -130.96 18.83 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.623 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 4.0 m-20 34.29 54.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 2.5 t80 -94.19 172.16 8.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -159.72 121.29 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' CD2' ' HB2' ' A' ' 52' ' ' LYS . 13.5 mt -135.11 177.74 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 3.5 m80 -91.92 150.01 21.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.585 ' HB1' ' CZ3' ' A' ' 26' ' ' TRP . . . -56.24 -36.08 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 7.5 ptmt -84.81 -43.69 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.422 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 98.3 m -57.67 -51.84 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.924 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -54.63 -51.66 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.83 -67.87 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LYS . 10.9 t-20 -56.49 103.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -91.39 109.58 20.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -161.95 110.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 81' ' ' THR . 15.9 m -66.77 -6.81 17.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.34 145.02 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -159.85 119.71 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t -90.21 -41.04 11.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 87' ' ' SER . . . -119.69 111.18 1.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 14.89 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 85' ' ' GLY . 28.3 t -71.76 -57.85 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -98.45 175.96 5.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.485 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -53.36 -61.5 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.81 159.68 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.77 -39.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -103.23 84.4 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 110.789 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.1 118.57 0.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.93 162.65 35.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 p -96.47 177.71 5.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.741 0.305 . . . . 0.0 111.158 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.573 ' HA ' HD21 ' A' ' 12' ' ' LEU . 4.2 mp0 -79.41 11.0 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -97.9 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 63.63 55.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -65.69 74.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -55.78 -68.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -46.28 -59.09 3.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -53.96 -65.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 18.0 mm-40 -41.14 -45.31 2.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -40.97 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -54.98 -51.04 67.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 12.5 m-85 -49.41 -57.83 6.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -48.14 -34.08 9.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 12.7 tt0 -70.14 -29.56 66.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.0 mt -75.5 -33.95 28.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -101.22 31.73 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 21.0 mttt -60.49 -42.88 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -88.62 -27.23 21.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.587 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 14.1 m0 -57.97 124.88 71.85 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.851 ' HD2' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.79 178.01 5.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.1 -32.22 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -127.98 119.19 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.885 HG11 ' HB1' ' A' ' 76' ' ' ALA . 8.4 p -111.87 151.44 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -109.03 89.71 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.868 ' CD2' HD13 ' A' ' 71' ' ' LEU . 15.5 t-80 -72.62 155.45 40.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.1 p -73.78 -50.37 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 33' ' ' VAL . 22.6 mt -63.88 -24.79 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 7.8 t60 -122.38 27.98 7.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.1 OUTLIER -46.68 -37.07 7.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' N ' ' HG2' ' A' ' 36' ' ' GLU . 4.6 tt0 -37.32 -35.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER -147.28 173.04 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -109.43 115.09 29.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.845 ' H ' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -57.37 174.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 43' ' ' THR . 5.8 tt0 -135.07 103.98 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HG ' ' CE3' ' A' ' 60' ' ' TRP . 17.1 tp -33.81 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' GLU . 18.4 m -102.48 141.54 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 -74.88 132.43 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.49 ' CG2' ' OG ' ' A' ' 61' ' ' SER . 94.0 t -153.03 138.62 11.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -68.73 -49.68 56.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG13 ' HG3' ' A' ' 56' ' ' GLU . 10.7 t -152.15 147.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 27.4 p90 -163.33 -175.12 4.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.2 m -127.44 107.26 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.151 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.0 t -62.19 147.11 48.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.16 30.42 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 32' ' ' HIS . 11.7 tttp -126.81 -55.09 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 27.2 p -106.32 -1.25 23.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 45.9 mt-10 64.88 42.56 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 31.8 mm-40 -121.66 174.65 6.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' HG13 ' A' ' 47' ' ' VAL . 10.6 tt0 -117.43 122.86 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -92.88 177.51 38.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.617 ' HB ' HD12 ' A' ' 59' ' ' ILE . 76.3 p -155.1 140.4 17.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.744 0.306 . . . . 0.0 111.16 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 4.3 mp 53.86 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.683 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.4 m95 -178.71 135.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.661 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 12.0 p -177.65 118.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 28.6 m-85 -70.96 99.08 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 69.2 t60 -102.91 149.61 24.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.606 ' HB2' HD12 ' A' ' 40' ' ' LEU . 15.8 t -115.83 123.8 49.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -80.34 32.84 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -135.01 -38.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 1.4 m -127.13 -16.69 4.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER 74.97 48.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.534 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.2 t80 -95.91 118.49 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -104.55 140.21 38.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.868 HD13 ' CD2' ' A' ' 32' ' ' HIS . 72.4 mt -146.45 178.09 8.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.5 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 10.3 m80 -93.74 154.56 17.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.587 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -58.97 -37.65 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 10.3 ptpp? -81.19 -41.29 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.404 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 51.8 m -56.55 -43.55 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.885 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.69 -52.72 41.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.851 HD21 ' HD2' ' A' ' 27' ' ' PRO . 48.9 mt -70.75 -65.06 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LYS . 3.1 t-20 -65.41 161.06 20.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -122.55 109.92 14.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -122.63 150.92 42.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.684 HG23 ' HG2' ' A' ' 83' ' ' GLU . 11.1 t -101.27 163.01 12.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -89.53 92.0 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.684 ' HG2' HG23 ' A' ' 81' ' ' THR . 43.8 mm-40 -118.93 170.13 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 m -114.1 90.27 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.04 -138.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.59 16.28 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -55.09 -52.75 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.4 t -61.13 113.46 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -170.14 175.79 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -143.92 164.73 29.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.21 -162.0 11.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.508 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -148.9 150.35 32.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 m -101.07 145.27 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 8' ' ' THR . . . 167.24 46.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 7' ' ' GLY . 23.9 p -155.94 142.77 18.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.752 0.31 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -121.67 145.02 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -112.24 -62.17 1.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -111.18 134.54 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 24.4 mt -113.41 77.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -64.81 -55.11 21.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -55.64 -45.76 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.496 ' CG1' ' HB3' ' A' ' 12' ' ' LEU . 49.8 mm -55.02 -62.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 15.4 mt-10 -39.99 -48.54 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.89 -42.12 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.063 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -53.16 -45.75 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.632 ' CG ' HG21 ' A' ' 59' ' ' ILE . 12.0 m-85 -62.18 -49.21 76.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -46.04 -38.05 7.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 30.2 tt0 -62.62 -32.9 74.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.7 mt -71.77 -30.87 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -107.59 33.77 3.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' GLU . 7.0 mtpp -61.8 -44.09 97.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -88.64 -30.88 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.584 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.1 m0 -48.96 124.4 12.9 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.5 Cg_endo -69.77 162.25 42.81 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -82.42 -35.76 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 40' ' ' LEU . 3.8 mmmm -125.12 118.5 26.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -117.39 149.04 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -110.18 97.14 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' CD2' HD13 ' A' ' 71' ' ' LEU . 27.5 t-80 -76.68 161.23 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.587 HG13 ' N ' ' A' ' 34' ' ' LEU . 8.5 p -74.8 -50.34 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' N ' HG13 ' A' ' 33' ' ' VAL . 18.3 mt -61.49 -26.7 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' HB2' ' CD2' ' A' ' 69' ' ' PHE . 5.7 t60 -120.6 26.6 9.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' GLU . 3.0 pp20? -40.8 -38.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.9 mm-40 -33.39 -48.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -140.95 173.89 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -103.51 132.61 49.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.5 mm? -71.3 168.14 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' LEU . 12.2 tt0 -130.4 105.29 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.678 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 14.2 tp -36.67 101.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.6 m -112.74 136.26 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' NH1' ' HB3' ' A' ' 44' ' ' ARG . 5.0 mmm180 -70.45 128.91 37.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.6 t -145.97 139.17 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.468 ' O ' HG23 ' A' ' 47' ' ' VAL . 7.6 tp60 -63.54 -51.53 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' GLN . 12.4 t -156.67 148.29 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -159.02 -175.07 5.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -129.52 106.36 8.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.142 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 47.8 t -62.76 122.87 16.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -89.16 30.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' HD3' ' SG ' ' A' ' 75' ' ' CYS . 33.3 tttt -121.87 -58.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 30.0 p -106.2 2.15 26.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 39.0 mt-10 64.03 47.78 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.4 mm-40 -128.25 171.13 12.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG3' HG13 ' A' ' 47' ' ' VAL . 14.8 tt0 -117.58 123.24 45.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 58' ' ' THR . . . -92.81 -177.67 40.96 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 57' ' ' GLY . 17.4 p -160.27 138.9 10.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.725 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.1 mm 57.7 24.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.725 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.91 134.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -171.99 117.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.678 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 25.6 m-85 -75.32 100.45 4.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 69' ' ' PHE . 6.2 t60 -104.43 151.33 23.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.8 t -113.37 125.14 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -80.89 32.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -134.88 -38.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 1.8 m -128.65 -7.08 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 1.4 m-20 64.74 46.9 2.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.548 ' CD2' ' HB2' ' A' ' 35' ' ' HIS . 10.5 t80 -95.29 122.58 38.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -103.21 151.47 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' A' ' 32' ' ' HIS . 17.9 mt -156.38 178.22 10.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.517 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 7.2 m80 -95.06 150.63 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.584 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -54.9 -40.65 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 75' ' ' CYS . 12.3 ptpt -79.93 -37.39 34.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 56.6 m -62.98 -41.13 99.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.966 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -71.14 -45.61 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 HD21 ' CD ' ' A' ' 27' ' ' PRO . 9.7 mt -56.26 -57.4 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -124.2 114.69 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.77 154.34 36.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -166.84 157.24 11.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.1 t -127.54 125.55 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -136.22 146.09 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -98.12 129.11 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.1 p -127.95 166.57 18.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 87' ' ' SER . . . -87.77 -167.37 43.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 11.73 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 2.279 . . . . 0.0 112.335 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 85' ' ' GLY . 97.5 p -108.59 118.86 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 t -85.91 120.18 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.501 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -123.84 143.41 50.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.385 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -91.64 134.97 34.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.7 -145.73 9.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t -153.14 158.52 41.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.955 0.407 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -99.68 -45.32 5.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.96 -109.54 1.93 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.7 p -71.76 162.56 29.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.811 0.339 . . . . 0.0 111.091 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -108.72 154.07 22.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -82.52 -59.2 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 11' ' ' ARG . 12.2 mtm105 -98.21 103.28 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' C ' ' OE2' ' A' ' 16' ' ' GLU . 5.6 mp -92.96 45.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -51.94 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -49.77 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG22 ' CE2' ' A' ' 19' ' ' TYR . 50.8 mm -44.23 -45.91 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' OE2' ' C ' ' A' ' 12' ' ' LEU . 17.9 mt-10 -55.94 -46.66 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.6 -46.6 58.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -51.54 -44.42 62.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.866 ' CD1' HG21 ' A' ' 59' ' ' ILE . 17.1 m-85 -73.54 -49.48 26.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -46.44 -38.71 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 47.8 tt0 -58.61 -32.45 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 53.6 mt -77.16 -33.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -104.62 36.2 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 6.8 mtmp? -64.41 -43.87 93.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -90.64 -29.5 17.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.535 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 17.2 m0 -50.21 124.12 17.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.569 0.7 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.525 ' CD ' HD21 ' A' ' 77' ' ' LEU . 53.9 Cg_endo -69.75 177.02 5.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -94.87 -35.97 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -122.37 127.69 50.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.667 HG11 ' HB1' ' A' ' 76' ' ' ALA . 12.3 p -123.09 143.69 35.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 83.94 2.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.875 ' CD2' HD13 ' A' ' 71' ' ' LEU . 19.5 t-80 -67.19 148.95 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 34' ' ' LEU . 2.7 p -69.36 -47.74 71.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD12 ' HE1' ' A' ' 32' ' ' HIS . 76.1 mt -63.64 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 7.7 t60 -118.8 25.56 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 37' ' ' GLU . 11.4 pt-20 -36.48 -38.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 36' ' ' GLU . 3.2 mm-40 -34.12 -55.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -134.66 179.61 6.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 18.3 mt-10 -110.86 115.33 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.3 mm? -54.41 170.48 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -133.03 106.04 7.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 62' ' ' TYR . 15.1 tp -40.03 99.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 m -110.1 139.99 44.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' CZ ' HG23 ' A' ' 59' ' ' ILE . 4.1 mmm180 -66.77 117.4 8.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.16 132.56 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -63.79 -54.97 26.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG13 ' HG3' ' A' ' 56' ' ' GLU . 23.8 t -149.66 146.79 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.646 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 13.6 p90 -160.37 -178.29 6.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -123.48 105.31 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 42.6 t -60.87 119.73 8.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 16.0 t0 -86.68 31.58 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -124.09 -56.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 29.2 p -107.84 2.26 23.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 15.9 mm-40 64.13 47.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 40.6 mm-40 -125.01 -174.01 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG3' HG13 ' A' ' 47' ' ' VAL . 12.5 tt0 -131.23 119.12 21.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 58' ' ' THR . . . -87.45 -173.75 48.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' GLY . 21.6 p -161.97 144.4 11.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.747 0.308 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.866 HG21 ' CD1' ' A' ' 19' ' ' TYR . 30.6 mm 46.32 24.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.684 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 5.0 m95 -178.71 131.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.646 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 8.5 t -174.67 120.83 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 42' ' ' LEU . 23.9 m-85 -70.46 98.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.0 t60 -101.69 142.43 33.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.566 ' HB2' HD12 ' A' ' 40' ' ' LEU . 8.7 t -112.1 120.66 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -77.06 30.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 64' ' ' CYS . 1.3 tp10 -134.99 -34.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.0 m -135.02 21.97 3.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.522 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 13.0 m-20 35.43 46.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 63' ' ' HIS . 8.4 t80 -94.86 126.75 40.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -112.85 149.81 32.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.875 HD13 ' CD2' ' A' ' 32' ' ' HIS . 47.0 mt -152.95 177.77 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 7.2 m80 -94.15 149.69 21.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -57.66 -42.9 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.48 -39.47 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 72' ' ' HIS . 50.3 m -58.95 -46.55 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.667 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -66.17 -46.13 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD21 ' CD ' ' A' ' 27' ' ' PRO . 14.3 mt -66.96 -62.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -116.89 162.58 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -115.72 -45.42 2.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 80' ' ' ASP . 1.0 OUTLIER -63.41 120.06 10.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.7 t -132.33 -3.94 3.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -120.33 157.3 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -72.23 148.09 45.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 66.0 m -59.27 101.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.34 179.67 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -30.18 22.71 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.3 p -120.21 133.43 55.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 m -134.98 152.19 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.462 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -161.24 149.31 15.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -145.83 165.53 28.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.47 -52.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.493 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 p 37.91 41.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 p -65.57 170.08 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.1 107.24 0.44 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.9 p -87.51 146.65 25.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.706 0.288 . . . . 0.0 111.132 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.688 ' HB2' HD21 ' A' ' 12' ' ' LEU . 5.4 pt-20 -86.97 119.07 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -119.56 -46.14 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 49.7 mtt180 -121.61 112.83 18.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' A' ' 9' ' ' GLU . 20.0 mt -110.02 103.77 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -86.96 -50.34 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 8.5 tp10 -68.48 -53.06 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' CZ ' ' A' ' 19' ' ' TYR . 49.1 mm -36.88 -60.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HA ' ' CD2' ' A' ' 19' ' ' TYR . 62.0 mt-10 -39.59 -44.1 1.42 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 14' ' ' GLU . . . -52.16 -43.68 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -52.6 -55.8 19.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.745 ' CG ' HG21 ' A' ' 59' ' ' ILE . 9.0 m-85 -46.89 -47.77 21.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.07 -35.42 59.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.2 tp10 -67.17 -22.97 65.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.44 -28.77 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.443 ' HA ' ' CG ' ' A' ' 26' ' ' TRP . . . -106.68 30.75 5.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 32.8 mttt -62.52 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -88.64 -30.35 19.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.852 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.62 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 18.7 m0 -49.04 126.32 14.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 154.04 68.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.362 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -77.23 -34.16 56.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -126.37 120.62 30.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.823 HG21 ' HB1' ' A' ' 76' ' ' ALA . 7.2 p -113.58 140.41 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -96.71 86.64 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.986 ' CD2' HD13 ' A' ' 71' ' ' LEU . 8.7 t-80 -73.6 141.69 46.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.3 p -61.17 -47.44 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' N ' HG13 ' A' ' 33' ' ' VAL . 33.3 mt -62.01 -27.05 68.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 4.6 t60 -116.88 23.48 11.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.7 tt0 -30.22 -50.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 36' ' ' GLU . 18.3 mp0 -29.6 -61.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -132.76 156.73 46.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.04 120.84 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 ' H ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? -56.34 166.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -125.54 127.43 46.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 62' ' ' TYR . 15.2 tp -53.98 93.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.7 m -100.74 134.91 43.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -70.25 126.21 28.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 88.0 t -145.97 137.77 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 58' ' ' THR . 56.3 tp60 -70.65 -48.57 54.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -151.36 146.93 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.691 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 36.6 p90 -163.6 -175.32 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -127.78 104.78 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 45.5 t -59.37 129.43 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.13 27.22 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 25.8 tttm -120.19 -54.57 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.8 p -110.8 2.32 18.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 63.32 50.51 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 8.0 mm-40 -124.8 -173.11 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.19 115.45 15.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' TYR . . . -86.4 -178.67 49.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.535 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 57' ' ' GLY . 24.3 p -158.29 137.33 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.745 HG21 ' CG ' ' A' ' 19' ' ' TYR . 25.2 mm 54.73 24.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.722 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.5 m95 -179.56 137.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.691 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 3.2 p -179.13 121.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.634 ' CZ ' HD13 ' A' ' 42' ' ' LEU . 35.2 m-85 -76.5 98.88 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.643 ' CD2' ' N ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER -111.53 158.0 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.83 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.643 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 43.0 t -119.05 114.6 22.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -66.13 2.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 64' ' ' CYS . 15.2 tt0 -108.16 -25.65 10.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 12.6 m -134.95 24.38 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.597 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 11.1 p-10 31.5 55.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 70' ' ' ASP . 1.1 t80 -94.3 172.8 7.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 4.5 m-20 -162.27 129.21 3.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.986 HD13 ' CD2' ' A' ' 32' ' ' HIS . 97.4 mt -144.3 177.77 8.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 50' ' ' CYS . 10.4 m80 -91.41 150.52 21.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.62 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -62.26 -29.74 70.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -87.92 -41.96 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.46 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 33.9 m -56.01 -49.63 73.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.823 ' HB1' HG21 ' A' ' 30' ' ' VAL . . . -61.77 -43.86 98.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 73' ' ' ALA . 15.9 mt -63.95 -62.2 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -77.14 178.57 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -137.78 112.65 9.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -123.35 -16.64 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.4 p 39.26 46.37 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 5.3 tppp? -59.38 148.56 32.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 82' ' ' LYS . 11.4 pt-20 -66.56 156.39 35.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 p -137.85 167.05 22.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.46 154.07 24.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.42 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.703 2.268 . . . . 0.0 112.334 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 p 40.2 42.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 t 47.62 43.42 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.503 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -156.63 171.04 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -163.23 176.56 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.65 160.42 27.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.541 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.3 p -147.75 138.91 23.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.4 m -132.85 156.23 47.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.59 -143.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.448 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 m -94.61 -52.34 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.764 0.316 . . . . 0.0 111.146 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -158.22 150.69 22.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -94.35 -67.41 0.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 13' ' ' LYS . 29.3 mtt180 -114.6 -17.42 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.562 ' HA ' HD13 ' A' ' 15' ' ' ILE . 2.1 pp 33.11 30.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' ARG . 14.6 mmtp -42.66 -63.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.9 tt0 -47.35 -59.82 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.846 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.7 mp -35.84 -52.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -44.46 -54.42 5.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -40.41 64.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -43.18 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.642 ' CG ' HG21 ' A' ' 59' ' ' ILE . 22.3 m-85 -62.43 -46.81 86.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -46.94 -39.14 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' HA ' ' HG3' ' A' ' 24' ' ' LYS . 10.7 tt0 -55.36 -32.04 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.7 -31.83 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 26' ' ' TRP . . . -104.82 33.82 3.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 13.0 mttt -61.81 -42.52 99.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.21 -30.85 18.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.705 ' CZ3' ' CB ' ' A' ' 73' ' ' ALA . 15.3 m0 -51.72 124.93 28.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.542 0.687 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.66 63.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -61.47 -38.41 87.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -132.59 129.22 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.865 HG11 ' HB1' ' A' ' 76' ' ' ALA . 6.9 p -119.6 151.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HE3' ' CD ' ' A' ' 39' ' ' GLU . 5.1 ttmt -104.16 86.99 2.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.914 ' CD2' HD13 ' A' ' 71' ' ' LEU . 28.0 t-80 -63.74 151.2 42.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 34' ' ' LEU . 7.4 p -68.4 -50.41 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD12 ' HE1' ' A' ' 32' ' ' HIS . 41.5 mt -62.73 -26.11 68.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 6.4 t60 -121.33 25.66 9.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 32' ' ' HIS . 0.0 OUTLIER -41.08 -31.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -39.29 -48.69 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.94 148.05 38.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.7 mp0 -81.11 113.84 19.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 ' H ' HD22 ' A' ' 40' ' ' LEU . 2.2 mm? -50.54 171.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.31 101.45 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HG ' ' CZ3' ' A' ' 60' ' ' TRP . 15.6 tp -39.12 104.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -115.31 138.2 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -65.86 122.48 17.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.24 133.97 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.54 -50.64 62.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG13 ' HG3' ' A' ' 56' ' ' GLU . 16.4 t -150.94 144.43 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 16.8 p90 -160.15 -175.28 4.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -124.99 120.97 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 52.7 t -82.71 119.47 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -86.45 29.39 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' CD ' ' HB3' ' A' ' 75' ' ' CYS . 10.9 tttp -119.64 -54.29 2.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 55' ' ' GLU . 31.5 p -116.62 14.24 15.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 52.75 51.45 15.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.459 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 22.7 mm-40 -132.66 156.6 46.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' HG3' HG13 ' A' ' 47' ' ' VAL . 5.5 tt0 -104.72 123.53 47.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.55 ' N ' ' HE2' ' A' ' 72' ' ' HIS . . . -91.97 -179.58 41.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 p -155.84 144.17 20.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 111.161 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.721 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 27.9 mm 50.58 25.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.721 ' CG ' ' O ' ' A' ' 59' ' ' ILE . 4.9 m95 179.8 132.54 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.594 ' HB2' ' CE1' ' A' ' 48' ' ' TYR . 7.0 t -173.82 119.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CD1' HG12 ' A' ' 30' ' ' VAL . 21.0 m-85 -69.25 99.21 1.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 82.5 t60 -102.36 144.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 4.8 t -116.47 119.7 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -75.49 31.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' H ' ' C ' ' A' ' 64' ' ' CYS . 12.0 tt0 -135.01 -37.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 1.6 m -134.53 19.79 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.468 ' HA ' ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER 37.39 50.48 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 35' ' ' HIS . 5.4 t80 -95.01 122.13 37.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -107.66 143.91 35.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.914 HD13 ' CD2' ' A' ' 32' ' ' HIS . 75.2 mt -151.97 178.04 9.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.55 ' HE2' ' N ' ' A' ' 57' ' ' GLY . 17.1 m80 -95.71 149.67 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.705 ' CB ' ' CZ3' ' A' ' 26' ' ' TRP . . . -59.12 -35.17 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -82.41 -38.96 23.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.439 ' HB3' ' CD ' ' A' ' 52' ' ' LYS . 45.5 m -60.78 -45.28 94.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB1' HG11 ' A' ' 30' ' ' VAL . . . -67.68 -41.0 84.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 73' ' ' ALA . 7.7 mt -66.28 -56.22 12.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -66.76 132.2 47.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -124.46 96.86 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' CG ' ' HD3' ' A' ' 82' ' ' LYS . 6.8 t0 -124.79 153.56 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.8 t -120.37 38.68 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -171.0 142.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -132.79 134.6 44.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.2 m -128.11 153.78 46.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.42 144.74 8.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -40.18 5.71 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.4 p -140.43 114.18 8.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.3 p -48.76 149.35 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.475 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_